N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide

C18H27NO2 — CID 96526783

IUPACN-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC[C@@]2(C)CCCC[C@H]2O)cc1
InChIInChI=1S/C18H27NO2/c1-14-6-8-15(9-7-14)10-11-17(21)19-13-18(2)12-4-3-5-16(18)20/h6-9,16,20H,3-5,10-13H2,1-2H3,(H,19,21)/t16-,18-/m1/s1
InChIKeyZPTWXXCILVFNHR-SJLPKXTDSA-N
MW289.42 g/mol
LogP2.99
Rot. Bonds5

About N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide

N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide (PubChem CID 96526783) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide
PubChem CID96526783
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC[C@@]2(C)CCCC[C@H]2O)cc1
InChIInChI=1S/C18H27NO2/c1-14-6-8-15(9-7-14)10-11-17(21)19-13-18(2)12-4-3-5-16(18)20/h6-9,16,20H,3-5,10-13H2,1-2H3,(H,19,21)/t16-,18-/m1/s1
InChIKeyZPTWXXCILVFNHR-SJLPKXTDSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-difluorophenyl)-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]propanamide
CID 95972468
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide
CID 114760850
2-(N-ethylanilino)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]acetamide
CID 71863517
N-[(3-hydroxythiolan-3-yl)methyl]-3-(4-methylphenyl)propanamide
CID 111596948
1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 43132383
N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 60610713
N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide
CID 114301183
3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide
CID 114107058
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110014889
4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
CID 124568326
2-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812086
N-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide
CID 114314101

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide (CID 96526783) is N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NC[C@@]2(C)CCCC[C@H]2O)cc1.
What is the InChIKey of N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide?
The InChIKey is ZPTWXXCILVFNHR-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14-6-8-15(9-7-14)10-11-17(21)19-13-18(2)12-4-3-5-16(18)20/h6-9,16,20H,3-5,10-13H2,1-2H3,(H,19,21)/t16-,18-/m1/s1.
What are the key properties of N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide?
N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 96526783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).