N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide

C23H23NO3 — CID 95982815

IUPACN-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H23NO3/c1-23(26,16-24-22(25)19-10-14-21(27-2)15-11-19)20-12-8-18(9-13-20)17-6-4-3-5-7-17/h3-15,26H,16H2,1-2H3,(H,24,25)/t23-/m1/s1
InChIKeyUAWSZOCQOHJYNF-HSZRJFAPSA-N
MW361.44 g/mol
LogP4.00
Rot. Bonds6

About N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide

N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide (PubChem CID 95982815) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide
PubChem CID95982815
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC NameN-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H23NO3/c1-23(26,16-24-22(25)19-10-14-21(27-2)15-11-19)20-12-8-18(9-13-20)17-6-4-3-5-7-17/h3-15,26H,16H2,1-2H3,(H,24,25)/t23-/m1/s1
InChIKeyUAWSZOCQOHJYNF-HSZRJFAPSA-N
XLogP4.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 90497661
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide
CID 95367999
1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 90497665
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylbenzamide
CID 121085663
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-4-phenylbenzamide
CID 95983664
2,6-difluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzamide
CID 71781812
N-(3-chloro-2,2-dimethylpropyl)-4-methoxybenzamide
CID 115364498
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921292
5-bromo-N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]pyridine-3-carboxamide
CID 99873716
1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 121112092
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71781801

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide (CID 95982815) is N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide is COc1ccc(C(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide?
The InChIKey is UAWSZOCQOHJYNF-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H23NO3/c1-23(26,16-24-22(25)19-10-14-21(27-2)15-11-19)20-12-8-18(9-13-20)17-6-4-3-5-7-17/h3-15,26H,16H2,1-2H3,(H,24,25)/t23-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide?
N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide has a molecular weight of 361.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide is sourced from PubChem (CID 95982815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).