N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide

C14H19NO2 — CID 95983826

IUPACN-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C14H19NO2/c1-10-5-2-3-8-13(10)14(17)15-11-6-4-7-12(16)9-11/h2-3,5,8,11-12,16H,4,6-7,9H2,1H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyUGMMHKYXCOSUJS-RYUDHWBXSA-N
MW233.31 g/mol
LogP2.03
Rot. Bonds2

About N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide

N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide (PubChem CID 95983826) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide
PubChem CID95983826
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C14H19NO2/c1-10-5-2-3-8-13(10)14(17)15-11-6-4-7-12(16)9-11/h2-3,5,8,11-12,16H,4,6-7,9H2,1H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyUGMMHKYXCOSUJS-RYUDHWBXSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide
CID 70845921
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114
N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
N-(2-aminocyclopropyl)-2-methylbenzamide
CID 43593725
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
2-amino-N-cyclobutyl-3-methylbenzamide
CID 62416482
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide?
The IUPAC name of N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide (CID 95983826) is N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide?
The canonical SMILES for N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide is Cc1ccccc1C(=O)N[C@H]1CCC[C@H](O)C1.
What is the InChIKey of N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide?
The InChIKey is UGMMHKYXCOSUJS-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-5-2-3-8-13(10)14(17)15-11-6-4-7-12(16)9-11/h2-3,5,8,11-12,16H,4,6-7,9H2,1H3,(H,15,17)/t11-,12-/m0/s1.
What are the key properties of N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide?
N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-hydroxycyclohexyl]-2-methylbenzamide is sourced from PubChem (CID 95983826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).