1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide

C18H28N2O — CID 64551081

IUPAC1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NC(c2ccccc2)C(C)C)C1
InChIInChI=1S/C18H28N2O/c1-13(2)16(15-9-5-4-6-10-15)20-17(21)18(19)11-7-8-14(3)12-18/h4-6,9-10,13-14,16H,7-8,11-12,19H2,1-3H3,(H,20,21)
InChIKeyIUOJOVXPFFWTDS-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.41
Rot. Bonds4

About 1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide

1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide (PubChem CID 64551081) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide
PubChem CID64551081
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NC(c2ccccc2)C(C)C)C1
InChIInChI=1S/C18H28N2O/c1-13(2)16(15-9-5-4-6-10-15)20-17(21)18(19)11-7-8-14(3)12-18/h4-6,9-10,13-14,16H,7-8,11-12,19H2,1-3H3,(H,20,21)
InChIKeyIUOJOVXPFFWTDS-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 81400568
3-amino-N-(2-methyl-1-phenylpropyl)oxolane-3-carboxamide
CID 64891316
1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 81368673
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-3-methyl-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
CID 64552119
1-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclopentane-1-carboxamide
CID 60852989
1-amino-3-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 64549838
1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 64553804
1-amino-N-benzhydrylcyclopentane-1-carboxamide
CID 97030389
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide (CID 64551081) is 1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NC(c2ccccc2)C(C)C)C1.
What is the InChIKey of 1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide?
The InChIKey is IUOJOVXPFFWTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)16(15-9-5-4-6-10-15)20-17(21)18(19)11-7-8-14(3)12-18/h4-6,9-10,13-14,16H,7-8,11-12,19H2,1-3H3,(H,20,21).
What are the key properties of 1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide?
1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64551081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).