N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide

C15H21NO2 — CID 82826551

IUPACN-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCC1CCCCC1
InChIInChI=1S/C15H21NO2/c1-11-13(8-5-9-14(11)17)15(18)16-10-12-6-3-2-4-7-12/h5,8-9,12,17H,2-4,6-7,10H2,1H3,(H,16,18)
InChIKeyRFLLREOKCQECSE-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.01
Rot. Bonds3

About N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide

N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide (PubChem CID 82826551) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
PubChem CID82826551
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCC1CCCCC1
InChIInChI=1S/C15H21NO2/c1-11-13(8-5-9-14(11)17)15(18)16-10-12-6-3-2-4-7-12/h5,8-9,12,17H,2-4,6-7,10H2,1H3,(H,16,18)
InChIKeyRFLLREOKCQECSE-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide 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-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
3-hydroxy-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82829222
N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide
CID 106123416
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 82828909
N-[[2-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
CID 82830986
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
2,3-dichloro-N-(cyclohexylmethyl)benzamide
CID 23019884
N-(cyclohexylmethyl)-2-iodobenzamide
CID 2677280
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide (CID 82826551) is N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide?
The InChIKey is RFLLREOKCQECSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-13(8-5-9-14(11)17)15(18)16-10-12-6-3-2-4-7-12/h5,8-9,12,17H,2-4,6-7,10H2,1H3,(H,16,18).
What are the key properties of N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide?
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82826551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).