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

C18H27NO2 — CID 65119986

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NCC2(O)CCC(C)CC2)c1
InChIInChI=1S/C18H27NO2/c1-14-8-10-18(21,11-9-14)13-19-17(20)7-6-16-5-3-4-15(2)12-16/h3-5,12,14,21H,6-11,13H2,1-2H3,(H,19,20)
InChIKeyCNMHGQSZUXNOTP-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.99
Rot. Bonds5

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

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide (PubChem CID 65119986) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide
PubChem CID65119986
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NCC2(O)CCC(C)CC2)c1
InChIInChI=1S/C18H27NO2/c1-14-8-10-18(21,11-9-14)13-19-17(20)7-6-16-5-3-4-15(2)12-16/h3-5,12,14,21H,6-11,13H2,1-2H3,(H,19,20)
InChIKeyCNMHGQSZUXNOTP-UHFFFAOYSA-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-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-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

N-[(4-hydroxythian-4-yl)methyl]-3-(3-methylphenyl)propanamide
CID 111484634
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide
CID 115362508
3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide
CID 63304882
N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide
CID 51276836
N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide
CID 121021894
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
4-hydroxy-4-[[(3-methylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106499162
1-(aminomethyl)-4-methyl-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115442067
4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 65084703
3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80563288
3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79038684
2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119112

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide (CID 65119986) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)NCC2(O)CCC(C)CC2)c1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide?
The InChIKey is CNMHGQSZUXNOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14-8-10-18(21,11-9-14)13-19-17(20)7-6-16-5-3-4-15(2)12-16/h3-5,12,14,21H,6-11,13H2,1-2H3,(H,19,20).
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-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-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 65119986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).