2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide

C18H28N2O — CID 64744033

IUPAC2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)NC2CCC(C)C(C)C2)cc1
InChIInChI=1S/C18H28N2O/c1-12-5-8-16(9-6-12)20-18(21)15(4)19-17-10-7-13(2)14(3)11-17/h5-6,8-9,13-15,17,19H,7,10-11H2,1-4H3,(H,20,21)
InChIKeyQMNIMFWKKWPOAI-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.74
Rot. Bonds4

About 2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide

2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide (PubChem CID 64744033) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide
PubChem CID64744033
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)NC2CCC(C)C(C)C2)cc1
InChIInChI=1S/C18H28N2O/c1-12-5-8-16(9-6-12)20-18(21)15(4)19-17-10-7-13(2)14(3)11-17/h5-6,8-9,13-15,17,19H,7,10-11H2,1-4H3,(H,20,21)
InChIKeyQMNIMFWKKWPOAI-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 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 ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide (CID 64744033) is 2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)NC2CCC(C)C(C)C2)cc1.
What is the InChIKey of 2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide?
The InChIKey is QMNIMFWKKWPOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12-5-8-16(9-6-12)20-18(21)15(4)19-17-10-7-13(2)14(3)11-17/h5-6,8-9,13-15,17,19H,7,10-11H2,1-4H3,(H,20,21).
What are the key properties of 2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide?
2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 64744033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).