N-[(3R)-1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl]benzamide

C29H33NO2 — CID 146163532

IUPACN-[(3R)-1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl]benzamide
SMILESO=C(NC(C[C@](O)(Cc1ccccc1)c1ccccc1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C29H33NO2/c31-28(25-17-9-3-10-18-25)30-27(24-15-7-2-8-16-24)22-29(32,26-19-11-4-12-20-26)21-23-13-5-1-6-14-23/h1,3-6,9-14,17-20,24,27,32H,2,7-8,15-16,21-22H2,(H,30,31)/t27?,29-/m1/s1
InChIKeyXLMHYZYVXRLAPR-ZBAATNBSSA-N
MW427.59 g/mol
LogP5.89
Rot. Bonds8

About N-[(3R)-1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl]benzamide

N-[(3R)-1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl]benzamide (PubChem CID 146163532) has the molecular formula C29H33NO2 and a molecular weight of 427.59 g/mol. Its IUPAC name is N-[(3R)-1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl]benzamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl]benzamide
PubChem CID146163532
Molecular FormulaC29H33NO2
Molecular Weight427.59 g/mol
Exact Mass427.25
IUPAC NameN-[(3R)-1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl]benzamide
SMILESO=C(NC(C[C@](O)(Cc1ccccc1)c1ccccc1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C29H33NO2/c31-28(25-17-9-3-10-18-25)30-27(24-15-7-2-8-16-24)22-29(32,26-19-11-4-12-20-26)21-23-13-5-1-6-14-23/h1,3-6,9-14,17-20,24,27,32H,2,7-8,15-16,21-22H2,(H,30,31)/t27?,29-/m1/s1
InChIKeyXLMHYZYVXRLAPR-ZBAATNBSSA-N
XLogP5.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-benzhydryl-4-(hydroxymethyl)benzamide
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N-[2-(4-Hydroxy-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide
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CID 17171912
N-((4R)-4-(acetamidomethyl)-4-phenylcyclohexyl)-N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 53321229
N-[1-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 57889234
(E)-3-[3-[3-(hydroxymethyl)phenyl]-5-(2-phenylethylcarbamoyl)phenyl]prop-2-enoic acid
CID 135304832
2-[4-[(Pentanoylamino)methyl]phenyl]benzoic acid
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2'-[(Isobutylamino)carbonyl]-2-biphenylcarboxylic acid
CID 683373

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl]benzamide?
The IUPAC name of N-[(3R)-1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl]benzamide (CID 146163532) is N-[(3R)-1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl]benzamide.
What is the SMILES notation for N-[(3R)-1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl]benzamide?
The canonical SMILES for N-[(3R)-1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl]benzamide is O=C(NC(C[C@](O)(Cc1ccccc1)c1ccccc1)C1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(3R)-1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl]benzamide?
The InChIKey is XLMHYZYVXRLAPR-ZBAATNBSSA-N. The full InChI is InChI=1S/C29H33NO2/c31-28(25-17-9-3-10-18-25)30-27(24-15-7-2-8-16-24)22-29(32,26-19-11-4-12-20-26)21-23-13-5-1-6-14-23/h1,3-6,9-14,17-20,24,27,32H,2,7-8,15-16,21-22H2,(H,30,31)/t27?,29-/m1/s1.
What are the key properties of N-[(3R)-1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl]benzamide?
N-[(3R)-1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl]benzamide has a molecular weight of 427.59 g/mol, XLogP of 5.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl]benzamide is sourced from PubChem (CID 146163532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).