4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide

C16H24N2O — CID 55062327

IUPAC4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCc1cccc(CCNC(=O)C2CCC(N)CC2)c1
InChIInChI=1S/C16H24N2O/c1-12-3-2-4-13(11-12)9-10-18-16(19)14-5-7-15(17)8-6-14/h2-4,11,14-15H,5-10,17H2,1H3,(H,18,19)
InChIKeyPINIYDVXDPVOLT-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.17
Rot. Bonds4

About 4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide

4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 55062327) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID55062327
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCc1cccc(CCNC(=O)C2CCC(N)CC2)c1
InChIInChI=1S/C16H24N2O/c1-12-3-2-4-13(11-12)9-10-18-16(19)14-5-7-15(17)8-6-14/h2-4,11,14-15H,5-10,17H2,1H3,(H,18,19)
InChIKeyPINIYDVXDPVOLT-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60912945
4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148068
4-N-(3-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148972
3-amino-N-[2-(3-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119745498
3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119770305
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 20968693
1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea
CID 108915633
cis-(1S,3R)-3-amino-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 56918619
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide
CID 51276836
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115150582
(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95561373

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide (CID 55062327) is 4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide is Cc1cccc(CCNC(=O)C2CCC(N)CC2)c1.
What is the InChIKey of 4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is PINIYDVXDPVOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-3-2-4-13(11-12)9-10-18-16(19)14-5-7-15(17)8-6-14/h2-4,11,14-15H,5-10,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide?
4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 55062327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).