N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide

C16H23NO2 — CID 103798546

IUPACN-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NC2CCCCC2CO)c1
InChIInChI=1S/C16H23NO2/c1-11-7-12(2)9-14(8-11)16(19)17-15-6-4-3-5-13(15)10-18/h7-9,13,15,18H,3-6,10H2,1-2H3,(H,17,19)
InChIKeyXYXGUEWYXSRRNS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.58
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide

N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide (PubChem CID 103798546) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
PubChem CID103798546
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NC2CCCCC2CO)c1
InChIInChI=1S/C16H23NO2/c1-11-7-12(2)9-14(8-11)16(19)17-15-6-4-3-5-13(15)10-18/h7-9,13,15,18H,3-6,10H2,1-2H3,(H,17,19)
InChIKeyXYXGUEWYXSRRNS-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
CID 103860531
3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103909256
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide
CID 113265788
3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide
CID 106366494
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide
CID 106364492
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide
CID 113254997
2-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 103822598
3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358612
3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide
CID 103751365

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide (CID 103798546) is N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NC2CCCCC2CO)c1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide?
The InChIKey is XYXGUEWYXSRRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-7-12(2)9-14(8-11)16(19)17-15-6-4-3-5-13(15)10-18/h7-9,13,15,18H,3-6,10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide?
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 103798546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).