3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide

C18H28N2O — CID 119779219

IUPAC3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide
SMILESCc1ccc(CC(C)NC(=O)C2CCCC(N)C2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-12-7-8-15(13(2)9-12)10-14(3)20-18(21)16-5-4-6-17(19)11-16/h7-9,14,16-17H,4-6,10-11,19H2,1-3H3,(H,20,21)
InChIKeyHPMSXJJDNCJRAD-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.87
Rot. Bonds4

About 3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide

3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide (PubChem CID 119779219) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide
PubChem CID119779219
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide
SMILESCc1ccc(CC(C)NC(=O)C2CCCC(N)C2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-12-7-8-15(13(2)9-12)10-14(3)20-18(21)16-5-4-6-17(19)11-16/h7-9,14,16-17H,4-6,10-11,19H2,1-3H3,(H,20,21)
InChIKeyHPMSXJJDNCJRAD-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119779218
N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110014569
N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119321028
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119779216
3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119722765
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 63044500
N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119321004
3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide
CID 119742802
3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119745976
1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111506164
1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one
CID 143639274
3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119808680

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide (CID 119779219) is 3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide is Cc1ccc(CC(C)NC(=O)C2CCCC(N)C2)c(C)c1.
What is the InChIKey of 3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is HPMSXJJDNCJRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12-7-8-15(13(2)9-12)10-14(3)20-18(21)16-5-4-6-17(19)11-16/h7-9,14,16-17H,4-6,10-11,19H2,1-3H3,(H,20,21).
What are the key properties of 3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide?
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119779219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).