N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide

C17H25NO2 — CID 103860366

IUPACN-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC2CCCCC2CO)c1
InChIInChI=1S/C17H25NO2/c1-13-5-4-6-14(11-13)9-10-17(20)18-16-8-3-2-7-15(16)12-19/h4-6,11,15-16,19H,2-3,7-10,12H2,1H3,(H,18,20)
InChIKeyPWTMJUBUALOLKP-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.59
Rot. Bonds5

About N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide

N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide (PubChem CID 103860366) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide
PubChem CID103860366
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NC2CCCCC2CO)c1
InChIInChI=1S/C17H25NO2/c1-13-5-4-6-14(11-13)9-10-17(20)18-16-8-3-2-7-15(16)12-19/h4-6,11,15-16,19H,2-3,7-10,12H2,1H3,(H,18,20)
InChIKeyPWTMJUBUALOLKP-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686
N-[2-(bromomethyl)cyclopentyl]-2-(3-methylphenyl)acetamide
CID 106366301
2-(2,5-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103798521
N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 103798501
N-[2-(hydroxymethyl)cyclopentyl]-2-(4-methylphenyl)acetamide
CID 103751406
N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide
CID 121021894
3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 107211275
N'-[3-(3-methylphenyl)propanoyl]cyclopropanecarbohydrazide
CID 51276836
(E)-3-(2,4-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103860372
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide
CID 43309134
N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide
CID 119611998

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide (CID 103860366) is N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)NC2CCCCC2CO)c1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide?
The InChIKey is PWTMJUBUALOLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-5-4-6-14(11-13)9-10-17(20)18-16-8-3-2-7-15(16)12-19/h4-6,11,15-16,19H,2-3,7-10,12H2,1H3,(H,18,20).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide?
N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide has a molecular weight of 275.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 103860366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).