N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide

C17H27N3O — CID 16794531

IUPACN-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
SMILESCN(CCCC(=O)Nc1ccccc1N)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-20(14-8-3-2-4-9-14)13-7-12-17(21)19-16-11-6-5-10-15(16)18/h5-6,10-11,14H,2-4,7-9,12-13,18H2,1H3,(H,19,21)
InChIKeyAFQOHBJDRXDIFL-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.25
Rot. Bonds6

About N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide

N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide (PubChem CID 16794531) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
PubChem CID16794531
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
SMILESCN(CCCC(=O)Nc1ccccc1N)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-20(14-8-3-2-4-9-14)13-7-12-17(21)19-16-11-6-5-10-15(16)18/h5-6,10-11,14H,2-4,7-9,12-13,18H2,1H3,(H,19,21)
InChIKeyAFQOHBJDRXDIFL-UHFFFAOYSA-N
XLogP3.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264571
N-(2-aminophenyl)-4-cyclohexylsulfanylbutanamide
CID 60884706
4-[cyclohexyl(methyl)amino]butanehydrazide
CID 63568701
4-[cycloheptyl(methyl)amino]butanehydrazide
CID 63571638
3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide
CID 55482831
4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]butanamide
CID 119899319
N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide
CID 61425903
N-(2-aminophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43271740
N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide
CID 61440644
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]acetamide
CID 61450802
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide?
The IUPAC name of N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide (CID 16794531) is N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide?
The canonical SMILES for N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide is CN(CCCC(=O)Nc1ccccc1N)C1CCCCC1.
What is the InChIKey of N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide?
The InChIKey is AFQOHBJDRXDIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20(14-8-3-2-4-9-14)13-7-12-17(21)19-16-11-6-5-10-15(16)18/h5-6,10-11,14H,2-4,7-9,12-13,18H2,1H3,(H,19,21).
What are the key properties of N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide?
N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide has a molecular weight of 289.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide is sourced from PubChem (CID 16794531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).