N-benzyl-2-[(1R,2S,3S)-2-hydroxy-3-phenylcyclohexyl]acetamide

C21H25NO2 — CID 134946823

IUPACN-benzyl-2-[(1R,2S,3S)-2-hydroxy-3-phenylcyclohexyl]acetamide
SMILESO=C(CC1CCC[C@@H](c2ccccc2)[C@H]1O)NCc1ccccc1
InChIInChI=1S/C21H25NO2/c23-20(22-15-16-8-3-1-4-9-16)14-18-12-7-13-19(21(18)24)17-10-5-2-6-11-17/h1-6,8-11,18-19,21,24H,7,12-15H2,(H,22,23)/t18?,19-,21-/m0/s1
InChIKeyINKHJLMBZPPWGJ-ZDZADGERSA-N
MW323.44 g/mol
LogP3.64
Rot. Bonds5

About N-benzyl-2-[(1R,2S,3S)-2-hydroxy-3-phenylcyclohexyl]acetamide

N-benzyl-2-[(1R,2S,3S)-2-hydroxy-3-phenylcyclohexyl]acetamide (PubChem CID 134946823) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-benzyl-2-[(1R,2S,3S)-2-hydroxy-3-phenylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(1R,2S,3S)-2-hydroxy-3-phenylcyclohexyl]acetamide
PubChem CID134946823
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-benzyl-2-[(1R,2S,3S)-2-hydroxy-3-phenylcyclohexyl]acetamide
SMILESO=C(CC1CCC[C@@H](c2ccccc2)[C@H]1O)NCc1ccccc1
InChIInChI=1S/C21H25NO2/c23-20(22-15-16-8-3-1-4-9-16)14-18-12-7-13-19(21(18)24)17-10-5-2-6-11-17/h1-6,8-11,18-19,21,24H,7,12-15H2,(H,22,23)/t18?,19-,21-/m0/s1
InChIKeyINKHJLMBZPPWGJ-ZDZADGERSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,5S)2-(4-Glutaridylbenzyl)-5-phenyl-1-cyclohexanol
CID 444394
2-(benzhydrylcarbamoyl)cyclohexane-1-carboxylic Acid
CID 4314943
N,N'-(1,3-Phenylenebis(methylene))bis(12-hydroxyoctadecanamide)
CID 18471332
trans-(1S,2S)-5,5-difluoro-N-[(1R)-2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-phenylcyclohexane-1-carboxamide
CID 145982955
N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide
CID 166625728
4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide
CID 166625783
N-(4-hydroxycyclohexyl)-4-(2-phenylethyl)cyclohexane-1-carboxamide
CID 166634360
(2R,6R)-N,N',2,6-Tetrabenzyl-4-hydroxyheptanediamide
CID 5482935
(2S,3R)-3-amino-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 44381941
(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 44382028
(2S,3R)-3-amino-3-cyclohexyl-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 44382789
(1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzylamino)-1-phenylbutan-2-yl)-3-(2-(N-methylpropionamido)propan-2-yl)cyclohexanecarboxamide
CID 46844429

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(1R,2S,3S)-2-hydroxy-3-phenylcyclohexyl]acetamide?
The IUPAC name of N-benzyl-2-[(1R,2S,3S)-2-hydroxy-3-phenylcyclohexyl]acetamide (CID 134946823) is N-benzyl-2-[(1R,2S,3S)-2-hydroxy-3-phenylcyclohexyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(1R,2S,3S)-2-hydroxy-3-phenylcyclohexyl]acetamide?
The canonical SMILES for N-benzyl-2-[(1R,2S,3S)-2-hydroxy-3-phenylcyclohexyl]acetamide is O=C(CC1CCC[C@@H](c2ccccc2)[C@H]1O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(1R,2S,3S)-2-hydroxy-3-phenylcyclohexyl]acetamide?
The InChIKey is INKHJLMBZPPWGJ-ZDZADGERSA-N. The full InChI is InChI=1S/C21H25NO2/c23-20(22-15-16-8-3-1-4-9-16)14-18-12-7-13-19(21(18)24)17-10-5-2-6-11-17/h1-6,8-11,18-19,21,24H,7,12-15H2,(H,22,23)/t18?,19-,21-/m0/s1.
What are the key properties of N-benzyl-2-[(1R,2S,3S)-2-hydroxy-3-phenylcyclohexyl]acetamide?
N-benzyl-2-[(1R,2S,3S)-2-hydroxy-3-phenylcyclohexyl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(1R,2S,3S)-2-hydroxy-3-phenylcyclohexyl]acetamide is sourced from PubChem (CID 134946823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).