N-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide

C18H28N2O — CID 112768865

IUPACN-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide
SMILESCCc1ccc(NC(=O)C(C)NC2CCCCC2C)cc1
InChIInChI=1S/C18H28N2O/c1-4-15-9-11-16(12-10-15)20-18(21)14(3)19-17-8-6-5-7-13(17)2/h9-14,17,19H,4-8H2,1-3H3,(H,20,21)
InChIKeyMNXZXYACVRBJLK-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.74
Rot. Bonds5

About N-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide

N-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide (PubChem CID 112768865) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide
PubChem CID112768865
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide
SMILESCCc1ccc(NC(=O)C(C)NC2CCCCC2C)cc1
InChIInChI=1S/C18H28N2O/c1-4-15-9-11-16(12-10-15)20-18(21)14(3)19-17-8-6-5-7-13(17)2/h9-14,17,19H,4-8H2,1-3H3,(H,20,21)
InChIKeyMNXZXYACVRBJLK-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-N-(4-ethylphenyl)propanamide
CID 11939445
(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11946761
(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11946763
N-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide
CID 102563631
4-[[(2S)-2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]propanoyl]amino]benzamide
CID 11939553
[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 11920859
N-(2,4-dichlorophenyl)-2-[(2-methylcyclohexyl)amino]propanamide
CID 78636184
2-[(2-methylcyclopropyl)amino]-N-phenylpropanamide
CID 62397765
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide
CID 11924348
2-(cyclopentylamino)-N-(4-methylphenyl)propanamide
CID 60638781
2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide
CID 103902064
(2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 25431954

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide?
The IUPAC name of N-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide (CID 112768865) is N-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide is CCc1ccc(NC(=O)C(C)NC2CCCCC2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide?
The InChIKey is MNXZXYACVRBJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-15-9-11-16(12-10-15)20-18(21)14(3)19-17-8-6-5-7-13(17)2/h9-14,17,19H,4-8H2,1-3H3,(H,20,21).
What are the key properties of N-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide?
N-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[(2-methylcyclohexyl)amino]propanamide is sourced from PubChem (CID 112768865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).