N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide

C15H21NO2 — CID 62520382

IUPACN-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2(CO)CCCCC2)c1
InChIInChI=1S/C15H21NO2/c1-12-6-5-7-13(10-12)14(18)16-15(11-17)8-3-2-4-9-15/h5-7,10,17H,2-4,8-9,11H2,1H3,(H,16,18)
InChIKeyBMGYWCNMDLFOSB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.42
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide

N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide (PubChem CID 62520382) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
PubChem CID62520382
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2(CO)CCCCC2)c1
InChIInChI=1S/C15H21NO2/c1-12-6-5-7-13(10-12)14(18)16-15(11-17)8-3-2-4-9-15/h5-7,10,17H,2-4,8-9,11H2,1H3,(H,16,18)
InChIKeyBMGYWCNMDLFOSB-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081511
1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 110008531
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 62519508
(2R)-2-(dimethylamino)-N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylphenyl)acetamide
CID 97154573
N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
CID 62520732
N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
CID 115764584
N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide
CID 62516961
N-[1-(hydroxymethyl)cyclobutyl]-3-nitrobenzamide
CID 115878142
4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878206
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878155

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide (CID 62520382) is N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide is Cc1cccc(C(=O)NC2(CO)CCCCC2)c1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide?
The InChIKey is BMGYWCNMDLFOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-6-5-7-13(10-12)14(18)16-15(11-17)8-3-2-4-9-15/h5-7,10,17H,2-4,8-9,11H2,1H3,(H,16,18).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide?
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide is sourced from PubChem (CID 62520382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).