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

C17H26N2O — CID 119795763

IUPAC3-amino-N-[2-(4-methylphenyl)propyl]cyclohexane-1-carboxamide
SMILESCc1ccc(C(C)CNC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C17H26N2O/c1-12-6-8-14(9-7-12)13(2)11-19-17(20)15-4-3-5-16(18)10-15/h6-9,13,15-16H,3-5,10-11,18H2,1-2H3,(H,19,20)
InChIKeyRMFCKQAYUQMTAD-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.73
Rot. Bonds4

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

3-amino-N-[2-(4-methylphenyl)propyl]cyclohexane-1-carboxamide (PubChem CID 119795763) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methylphenyl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-methylphenyl)propyl]cyclohexane-1-carboxamide
PubChem CID119795763
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-amino-N-[2-(4-methylphenyl)propyl]cyclohexane-1-carboxamide
SMILESCc1ccc(C(C)CNC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C17H26N2O/c1-12-6-8-14(9-7-12)13(2)11-19-17(20)15-4-3-5-16(18)10-15/h6-9,13,15-16H,3-5,10-11,18H2,1-2H3,(H,19,20)
InChIKeyRMFCKQAYUQMTAD-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 63046098
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide
CID 119821976
2-[[(3-aminocyclohexanecarbonyl)amino]methyl]-3-methylbutanoic acid
CID 65223926
N-[2-(4-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119330379
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride
CID 119784027
3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide
CID 119751617
3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide
CID 119889376
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81349509
3-amino-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119792588
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119779218

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methylphenyl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-methylphenyl)propyl]cyclohexane-1-carboxamide (CID 119795763) is 3-amino-N-[2-(4-methylphenyl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-methylphenyl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-methylphenyl)propyl]cyclohexane-1-carboxamide is Cc1ccc(C(C)CNC(=O)C2CCCC(N)C2)cc1.
What is the InChIKey of 3-amino-N-[2-(4-methylphenyl)propyl]cyclohexane-1-carboxamide?
The InChIKey is RMFCKQAYUQMTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-6-8-14(9-7-12)13(2)11-19-17(20)15-4-3-5-16(18)10-15/h6-9,13,15-16H,3-5,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-[2-(4-methylphenyl)propyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(4-methylphenyl)propyl]cyclohexane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methylphenyl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119795763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).