N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide

C20H23NO3 — CID 111428764

IUPACN-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(OC2CCCCC2O)cc1
InChIInChI=1S/C20H23NO3/c1-14-6-2-3-7-17(14)20(23)21-15-10-12-16(13-11-15)24-19-9-5-4-8-18(19)22/h2-3,6-7,10-13,18-19,22H,4-5,8-9H2,1H3,(H,21,23)
InChIKeyNQQGMCUPLYABNA-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.93
Rot. Bonds4

About N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide

N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide (PubChem CID 111428764) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide
PubChem CID111428764
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(OC2CCCCC2O)cc1
InChIInChI=1S/C20H23NO3/c1-14-6-2-3-7-17(14)20(23)21-15-10-12-16(13-11-15)24-19-9-5-4-8-18(19)22/h2-3,6-7,10-13,18-19,22H,4-5,8-9H2,1H3,(H,21,23)
InChIKeyNQQGMCUPLYABNA-UHFFFAOYSA-N
XLogP3.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide
CID 111825146
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide
CID 111428790
N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 111428793
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 9295083
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylpropanamide
CID 119329332
6-(furan-2-yl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylpyridine-3-carboxamide
CID 102557570
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 119329344
N-[[4-(2,2-dichlorocyclopropyl)oxyphenyl]carbamoyl]-2-methylbenzamide
CID 13041497
N-[4-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 86974264
1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide
CID 110007275
N-[4-(2-hydroxyethoxy)phenyl]-2-methylbenzamide
CID 111116241

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide (CID 111428764) is N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(OC2CCCCC2O)cc1.
What is the InChIKey of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide?
The InChIKey is NQQGMCUPLYABNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-6-2-3-7-17(14)20(23)21-15-10-12-16(13-11-15)24-19-9-5-4-8-18(19)22/h2-3,6-7,10-13,18-19,22H,4-5,8-9H2,1H3,(H,21,23).
What are the key properties of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide?
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide is sourced from PubChem (CID 111428764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).