N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide

C20H23NO2 — CID 27245407

IUPACN-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCCC[C@H]1O
InChIInChI=1S/C20H23NO2/c1-21(18-9-5-6-10-19(18)22)20(23)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-4,7-8,11-14,18-19,22H,5-6,9-10H2,1H3/t18-,19+/m0/s1
InChIKeySVPDYELOYLXYBO-RBUKOAKNSA-N
MW309.41 g/mol
LogP3.73
Rot. Bonds3

About N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide

N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide (PubChem CID 27245407) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
PubChem CID27245407
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCCC[C@H]1O
InChIInChI=1S/C20H23NO2/c1-21(18-9-5-6-10-19(18)22)20(23)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-4,7-8,11-14,18-19,22H,5-6,9-10H2,1H3/t18-,19+/m0/s1
InChIKeySVPDYELOYLXYBO-RBUKOAKNSA-N
XLogP3.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-cyclohexyl-N-methyl-4-phenylbenzamide
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CID 461057
N-tert-Butyl-N-(2-hydroxyethyl)-2-[3-hydroxy-4-[2-[(2-hydroxyethyl)(1-methyl-1-phenylethyl)carbamoyl]-4-methylphenyl]butyl]benzamide
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(9R,11S)-3-ethyl-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
CID 68538837
N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1R)-1-phenylethyl]amino]butan-2-yl]-4-(piperidine-1-carbonyl)benzamide
CID 71520964
[4-(2-Methylpiperidine-1-carbonyl)phenyl]-phenylmethanone
CID 4884717
1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(propan-2-ylamino)butan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 10161295
1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1R)-1-phenylethyl]amino]butan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide?
The IUPAC name of N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide (CID 27245407) is N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide is CN(C(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide?
The InChIKey is SVPDYELOYLXYBO-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H23NO2/c1-21(18-9-5-6-10-19(18)22)20(23)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-4,7-8,11-14,18-19,22H,5-6,9-10H2,1H3/t18-,19+/m0/s1.
What are the key properties of N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide?
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide has a molecular weight of 309.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide is sourced from PubChem (CID 27245407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).