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

C29H33NO2 — CID 122200885

IUPACN-(1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl)benzamide
SMILESO=C(NC(CC(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)
InChIKeyXLMHYZYVXRLAPR-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.89
Rot. Bonds8

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

N-(1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl)benzamide (PubChem CID 122200885) has the molecular formula C29H33NO2 and a molecular weight of 427.59 g/mol. Its IUPAC name is N-(1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl)benzamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl)benzamide
PubChem CID122200885
Molecular FormulaC29H33NO2
Molecular Weight427.59 g/mol
Exact Mass427.25
IUPAC NameN-(1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl)benzamide
SMILESO=C(NC(CC(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)
InChIKeyXLMHYZYVXRLAPR-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl)benzamide?
The IUPAC name of N-(1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl)benzamide (CID 122200885) is N-(1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl)benzamide.
What is the SMILES notation for N-(1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl)benzamide?
The canonical SMILES for N-(1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl)benzamide is O=C(NC(CC(O)(Cc1ccccc1)c1ccccc1)C1CCCCC1)c1ccccc1.
What is the InChIKey of N-(1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl)benzamide?
The InChIKey is XLMHYZYVXRLAPR-UHFFFAOYSA-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).
What are the key properties of N-(1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl)benzamide?
N-(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-(1-cyclohexyl-3-hydroxy-3,4-diphenylbutyl)benzamide is sourced from PubChem (CID 122200885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).