3-(2-aminohexanoylamino)-N,2-dimethylbenzamide

C15H23N3O2 — CID 60854743

IUPAC3-(2-aminohexanoylamino)-N,2-dimethylbenzamide
SMILESCCCCC(N)C(=O)Nc1cccc(C(=O)NC)c1C
InChIInChI=1S/C15H23N3O2/c1-4-5-8-12(16)15(20)18-13-9-6-7-11(10(13)2)14(19)17-3/h6-7,9,12H,4-5,8,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWLMPQCYYHUKKJW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.81
Rot. Bonds6

About 3-(2-aminohexanoylamino)-N,2-dimethylbenzamide

3-(2-aminohexanoylamino)-N,2-dimethylbenzamide (PubChem CID 60854743) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(2-aminohexanoylamino)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-(2-aminohexanoylamino)-N,2-dimethylbenzamide
PubChem CID60854743
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(2-aminohexanoylamino)-N,2-dimethylbenzamide
SMILESCCCCC(N)C(=O)Nc1cccc(C(=O)NC)c1C
InChIInChI=1S/C15H23N3O2/c1-4-5-8-12(16)15(20)18-13-9-6-7-11(10(13)2)14(19)17-3/h6-7,9,12H,4-5,8,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWLMPQCYYHUKKJW-UHFFFAOYSA-N
XLogP1.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
CID 54996136
methyl 3-[(2-amino-5-methoxypentanoyl)amino]-2-methylbenzoate
CID 81084760
2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 79596538
3-[(3-chloro-2-methylpropanoyl)amino]-N,2-dimethylbenzamide
CID 55110621
N,2-dimethyl-3-(nonan-2-ylamino)benzamide
CID 43734562
(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
2-amino-N-(2-methylsulfonylphenyl)hexanamide
CID 54928189
5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide
CID 60928001
3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide
CID 79204866
(2S)-2-amino-N-(2-phenylphenyl)hexanamide
CID 103830910
(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide
CID 107143829
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylbenzoic acid
CID 104907066

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminohexanoylamino)-N,2-dimethylbenzamide?
The IUPAC name of 3-(2-aminohexanoylamino)-N,2-dimethylbenzamide (CID 60854743) is 3-(2-aminohexanoylamino)-N,2-dimethylbenzamide.
What is the SMILES notation for 3-(2-aminohexanoylamino)-N,2-dimethylbenzamide?
The canonical SMILES for 3-(2-aminohexanoylamino)-N,2-dimethylbenzamide is CCCCC(N)C(=O)Nc1cccc(C(=O)NC)c1C.
What is the InChIKey of 3-(2-aminohexanoylamino)-N,2-dimethylbenzamide?
The InChIKey is WLMPQCYYHUKKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-5-8-12(16)15(20)18-13-9-6-7-11(10(13)2)14(19)17-3/h6-7,9,12H,4-5,8,16H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 3-(2-aminohexanoylamino)-N,2-dimethylbenzamide?
3-(2-aminohexanoylamino)-N,2-dimethylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminohexanoylamino)-N,2-dimethylbenzamide is sourced from PubChem (CID 60854743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).