3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide

C18H28N2O — CID 104502286

IUPAC3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide
SMILESCC(CC(=O)N(C)C1CCCCC1C)c1ccc(N)cc1
InChIInChI=1S/C18H28N2O/c1-13-6-4-5-7-17(13)20(3)18(21)12-14(2)15-8-10-16(19)11-9-15/h8-11,13-14,17H,4-7,12,19H2,1-3H3
InChIKeyXWLAFBMVKGQIKU-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.80
Rot. Bonds4

About 3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide

3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide (PubChem CID 104502286) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide
PubChem CID104502286
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide
SMILESCC(CC(=O)N(C)C1CCCCC1C)c1ccc(N)cc1
InChIInChI=1S/C18H28N2O/c1-13-6-4-5-7-17(13)20(3)18(21)12-14(2)15-8-10-16(19)11-9-15/h8-11,13-14,17H,4-7,12,19H2,1-3H3
InChIKeyXWLAFBMVKGQIKU-UHFFFAOYSA-N
XLogP3.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide
CID 104502203
3-(4-aminophenyl)-1-cyclopentylbutan-1-one
CID 116612653
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide
CID 104502632
(2S)-2-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylacetamide
CID 104897433
methyl 2-[3-(4-aminophenyl)butanoyl-methylamino]acetate
CID 104502315
3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide
CID 104502770
N-methyl-N-(2-methylcyclohexyl)propanamide
CID 60735521
3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide
CID 104502518
3-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]butanamide
CID 104502586
4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61104999
3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide
CID 104502211
2-[3-(4-aminophenyl)butanoyl-(carboxymethyl)amino]acetic acid
CID 104502627

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide (CID 104502286) is 3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide is CC(CC(=O)N(C)C1CCCCC1C)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide?
The InChIKey is XWLAFBMVKGQIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-6-4-5-7-17(13)20(3)18(21)12-14(2)15-8-10-16(19)11-9-15/h8-11,13-14,17H,4-7,12,19H2,1-3H3.
What are the key properties of 3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide?
3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide has a molecular weight of 288.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-methyl-N-(2-methylcyclohexyl)butanamide is sourced from PubChem (CID 104502286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).