9DL

5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide

Created:	2021-10-06
Last modified:	2022-10-05

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1 entries where 9DL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	6

2D diagram of 9DL

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Chemical Component Summary
Name	5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide
Systematic Name (OpenEye OEToolkits)	5-[methyl-(2-oxidanylidene-2-phenylazanyl-ethyl)amino]-~{N}-oxidanyl-pentanamide
Formula	C₁₄ H₂₁ N₃ O₃
Molecular Weight	279.335
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ccccc1)CN(C)CCCCC(=O)NO
SMILES	CACTVS	3.385	CN(CCCCC(=O)NO)CC(=O)Nc1ccccc1
SMILES	OpenEye OEToolkits	2.0.7	CN(CCCCC(=O)NO)CC(=O)Nc1ccccc1
Canonical SMILES	CACTVS	3.385	CN(CCCCC(=O)NO)CC(=O)Nc1ccccc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(CCCCC(=O)NO)CC(=O)Nc1ccccc1
InChI	InChI	1.03	InChI=1S/C14H21N3O3/c1-17(10-6-5-9-13(18)16-20)11-14(19)15-12-7-3-2-4-8-12/h2-4,7-8,20H,5-6,9-11H2,1H3,(H,15,19)(H,16,18)
InChIKey	InChI	1.03	ZPXKDKFZPZUKPI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	165180683

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