N-(2-diphenylphosphoryl-3-hydroxy-4,4-dimethyl-1-phenylpentyl)benzamide

C32H34NO3P — CID 11124080

IUPACN-(2-diphenylphosphoryl-3-hydroxy-4,4-dimethyl-1-phenylpentyl)benzamide
SMILESCC(C)(C)C(O)C(C(NC(=O)c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H34NO3P/c1-32(2,3)30(34)29(37(36,26-20-12-6-13-21-26)27-22-14-7-15-23-27)28(24-16-8-4-9-17-24)33-31(35)25-18-10-5-11-19-25/h4-23,28-30,34H,1-3H3,(H,33,35)
InChIKeyQJNUCJGFYCVVDN-UHFFFAOYSA-N
MW511.60 g/mol
LogP5.95
Rot. Bonds8

About N-(2-diphenylphosphoryl-3-hydroxy-4,4-dimethyl-1-phenylpentyl)benzamide

N-(2-diphenylphosphoryl-3-hydroxy-4,4-dimethyl-1-phenylpentyl)benzamide (PubChem CID 11124080) has the molecular formula C32H34NO3P and a molecular weight of 511.60 g/mol. Its IUPAC name is N-(2-diphenylphosphoryl-3-hydroxy-4,4-dimethyl-1-phenylpentyl)benzamide.

Molecular Properties

Compound NameN-(2-diphenylphosphoryl-3-hydroxy-4,4-dimethyl-1-phenylpentyl)benzamide
PubChem CID11124080
Molecular FormulaC32H34NO3P
Molecular Weight511.60 g/mol
Exact Mass511.23
IUPAC NameN-(2-diphenylphosphoryl-3-hydroxy-4,4-dimethyl-1-phenylpentyl)benzamide
SMILESCC(C)(C)C(O)C(C(NC(=O)c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H34NO3P/c1-32(2,3)30(34)29(37(36,26-20-12-6-13-21-26)27-22-14-7-15-23-27)28(24-16-8-4-9-17-24)33-31(35)25-18-10-5-11-19-25/h4-23,28-30,34H,1-3H3,(H,33,35)
InChIKeyQJNUCJGFYCVVDN-UHFFFAOYSA-N
XLogP5.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.60
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
N-(2-hydroxy-3-oxo-1-phenylbutyl)benzamide
CID 71218694
N-[(1R,2S,3R)-3-hydroxy-2-methyl-1,3-diphenylpropyl]benzamide
CID 134903315
3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 175045736
N-[(1R)-2-acetyl-3-oxo-1-phenylbutyl]benzamide
CID 11587624
(2S,3R)-3-benzamido-2-hydroxy-3-phenylpropanethioic S-acid
CID 18660976
N-(2,3-dihydroxy-1-phenylpropyl)benzamide
CID 14650575
N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide
CID 57161994
N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
CID 6594177
4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596

Frequently Asked Questions

What is the IUPAC name of N-(2-diphenylphosphoryl-3-hydroxy-4,4-dimethyl-1-phenylpentyl)benzamide?
The IUPAC name of N-(2-diphenylphosphoryl-3-hydroxy-4,4-dimethyl-1-phenylpentyl)benzamide (CID 11124080) is N-(2-diphenylphosphoryl-3-hydroxy-4,4-dimethyl-1-phenylpentyl)benzamide.
What is the SMILES notation for N-(2-diphenylphosphoryl-3-hydroxy-4,4-dimethyl-1-phenylpentyl)benzamide?
The canonical SMILES for N-(2-diphenylphosphoryl-3-hydroxy-4,4-dimethyl-1-phenylpentyl)benzamide is CC(C)(C)C(O)C(C(NC(=O)c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-diphenylphosphoryl-3-hydroxy-4,4-dimethyl-1-phenylpentyl)benzamide?
The InChIKey is QJNUCJGFYCVVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34NO3P/c1-32(2,3)30(34)29(37(36,26-20-12-6-13-21-26)27-22-14-7-15-23-27)28(24-16-8-4-9-17-24)33-31(35)25-18-10-5-11-19-25/h4-23,28-30,34H,1-3H3,(H,33,35).
What are the key properties of N-(2-diphenylphosphoryl-3-hydroxy-4,4-dimethyl-1-phenylpentyl)benzamide?
N-(2-diphenylphosphoryl-3-hydroxy-4,4-dimethyl-1-phenylpentyl)benzamide has a molecular weight of 511.60 g/mol, XLogP of 5.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diphenylphosphoryl-3-hydroxy-4,4-dimethyl-1-phenylpentyl)benzamide is sourced from PubChem (CID 11124080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).