3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide

C18H28N2O — CID 64752912

IUPAC3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC2CC(C)CC(C)C2)c1
InChIInChI=1S/C18H28N2O/c1-4-8-19-18(21)15-6-5-7-16(12-15)20-17-10-13(2)9-14(3)11-17/h5-7,12-14,17,20H,4,8-11H2,1-3H3,(H,19,21)
InChIKeyWXSDHGLJRYFZHN-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.06
Rot. Bonds5

About 3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide

3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide (PubChem CID 64752912) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide
PubChem CID64752912
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC2CC(C)CC(C)C2)c1
InChIInChI=1S/C18H28N2O/c1-4-8-19-18(21)15-6-5-7-16(12-15)20-17-10-13(2)9-14(3)11-17/h5-7,12-14,17,20H,4,8-11H2,1-3H3,(H,19,21)
InChIKeyWXSDHGLJRYFZHN-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide
CID 106871637
3-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide
CID 104860210
3-(ethylamino)-N-propylbenzamide
CID 43676038
4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63713940
3-[(2,2-dimethylcyclopentyl)amino]-N-propylbenzamide
CID 79864777
3-[3-(cyclopropylamino)propanoylamino]-N-propylbenzamide
CID 60867621
4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119712065
N-ethyl-3-(oxan-4-ylamino)benzamide
CID 43680696
3-[(3-hydroperoxy-5-methylcyclohexyl)amino]benzoic acid
CID 166705821
3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide
CID 82833688
3-amino-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733610
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide?
The IUPAC name of 3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide (CID 64752912) is 3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide.
What is the SMILES notation for 3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide?
The canonical SMILES for 3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC2CC(C)CC(C)C2)c1.
What is the InChIKey of 3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide?
The InChIKey is WXSDHGLJRYFZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-8-19-18(21)15-6-5-7-16(12-15)20-17-10-13(2)9-14(3)11-17/h5-7,12-14,17,20H,4,8-11H2,1-3H3,(H,19,21).
What are the key properties of 3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide?
3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide has a molecular weight of 288.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide is sourced from PubChem (CID 64752912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).