N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylbutanamide

C20H29NO — CID 55593817

IUPACN-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylbutanamide
SMILESCC1CCC(N(C(=O)CC(C)c2ccccc2)C2CC2)CC1
InChIInChI=1S/C20H29NO/c1-15-8-10-18(11-9-15)21(19-12-13-19)20(22)14-16(2)17-6-4-3-5-7-17/h3-7,15-16,18-19H,8-14H2,1-2H3
InChIKeyGLQYTXOWFUMWNC-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.75
Rot. Bonds5

About N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylbutanamide

N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylbutanamide (PubChem CID 55593817) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylbutanamide
PubChem CID55593817
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC NameN-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylbutanamide
SMILESCC1CCC(N(C(=O)CC(C)c2ccccc2)C2CC2)CC1
InChIInChI=1S/C20H29NO/c1-15-8-10-18(11-9-15)21(19-12-13-19)20(22)14-16(2)17-6-4-3-5-7-17/h3-7,15-16,18-19H,8-14H2,1-2H3
InChIKeyGLQYTXOWFUMWNC-UHFFFAOYSA-N
XLogP4.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 119950141
3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824337
N-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide
CID 51113496
N-methoxy-N-methyl-3-phenylbutanamide
CID 22612044
N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide
CID 134062285
N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
CID 55549162
3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 80548256
N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride
CID 119658945
[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (3R)-3-phenylbutanoate
CID 7053819
(3S)-3-phenylbutanoate
CID 6950118
N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
CID 55925127
2-[cyclopropyl-[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 60833703

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylbutanamide?
The IUPAC name of N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylbutanamide (CID 55593817) is N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylbutanamide.
What is the SMILES notation for N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylbutanamide?
The canonical SMILES for N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylbutanamide is CC1CCC(N(C(=O)CC(C)c2ccccc2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylbutanamide?
The InChIKey is GLQYTXOWFUMWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c1-15-8-10-18(11-9-15)21(19-12-13-19)20(22)14-16(2)17-6-4-3-5-7-17/h3-7,15-16,18-19H,8-14H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylbutanamide?
N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylbutanamide has a molecular weight of 299.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylbutanamide is sourced from PubChem (CID 55593817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).