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

C17H26N2O — CID 64824324

IUPAC2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide
SMILESCCC(NC(=O)C1CCCCC1N)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O/c1-3-16(13-10-8-12(2)9-11-13)19-17(20)14-6-4-5-7-15(14)18/h8-11,14-16H,3-7,18H2,1-2H3,(H,19,20)
InChIKeyUJIJAKIMXRSUBF-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.08
Rot. Bonds4

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

2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide (PubChem CID 64824324) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide
PubChem CID64824324
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide
SMILESCCC(NC(=O)C1CCCCC1N)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O/c1-3-16(13-10-8-12(2)9-11-13)19-17(20)14-6-4-5-7-15(14)18/h8-11,14-16H,3-7,18H2,1-2H3,(H,19,20)
InChIKeyUJIJAKIMXRSUBF-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978215
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]cycloheptane-1-carboxamide
CID 81355949
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
2-[1-(4-methylphenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975840
3-methyl-N-[1-(4-methylphenyl)propyl]piperidine-2-carboxamide
CID 107067400
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
1-acetyl-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 6469814
2-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 64822656
2-amino-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 79001242
2-(cyclopropylamino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 60671799
methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate
CID 64823561

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide (CID 64824324) is 2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide is CCC(NC(=O)C1CCCCC1N)c1ccc(C)cc1.
What is the InChIKey of 2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide?
The InChIKey is UJIJAKIMXRSUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-16(13-10-8-12(2)9-11-13)19-17(20)14-6-4-5-7-15(14)18/h8-11,14-16H,3-7,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide?
2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-methylphenyl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64824324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).