3-benzamido-2-benzyl-2-hydroxy-3-phenylpropanoic acid

C23H21NO4 — CID 70209365

IUPAC3-benzamido-2-benzyl-2-hydroxy-3-phenylpropanoic acid
SMILESO=C(NC(c1ccccc1)C(O)(Cc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C23H21NO4/c25-21(19-14-8-3-9-15-19)24-20(18-12-6-2-7-13-18)23(28,22(26)27)16-17-10-4-1-5-11-17/h1-15,20,28H,16H2,(H,24,25)(H,26,27)
InChIKeyNZOVLQWLBMWXKF-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.22
Rot. Bonds7

About 3-benzamido-2-benzyl-2-hydroxy-3-phenylpropanoic acid

3-benzamido-2-benzyl-2-hydroxy-3-phenylpropanoic acid (PubChem CID 70209365) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 3-benzamido-2-benzyl-2-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-benzamido-2-benzyl-2-hydroxy-3-phenylpropanoic acid
PubChem CID70209365
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name3-benzamido-2-benzyl-2-hydroxy-3-phenylpropanoic acid
SMILESO=C(NC(c1ccccc1)C(O)(Cc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C23H21NO4/c25-21(19-14-8-3-9-15-19)24-20(18-12-6-2-7-13-18)23(28,22(26)27)16-17-10-4-1-5-11-17/h1-15,20,28H,16H2,(H,24,25)(H,26,27)
InChIKeyNZOVLQWLBMWXKF-UHFFFAOYSA-N
XLogP3.22
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
N,N'-bis(2-benzyl-2-hydroxy-1,3-diphenylpropyl)propanediamide
CID 23141086
3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 43705350
(3S)-3-amino-2-benzyl-2-hydroxybutanedioic acid
CID 123310033
N-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide
CID 2305846
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
2,2-dibenzamidoacetic acid
CID 12521150
N-(2,3-dihydroxy-1-phenylpropyl)benzamide
CID 14650575
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
N'-[(1S)-1,2-diphenylethyl]benzohydrazide
CID 14923144

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-2-benzyl-2-hydroxy-3-phenylpropanoic acid?
The IUPAC name of 3-benzamido-2-benzyl-2-hydroxy-3-phenylpropanoic acid (CID 70209365) is 3-benzamido-2-benzyl-2-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for 3-benzamido-2-benzyl-2-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for 3-benzamido-2-benzyl-2-hydroxy-3-phenylpropanoic acid is O=C(NC(c1ccccc1)C(O)(Cc1ccccc1)C(=O)O)c1ccccc1.
What is the InChIKey of 3-benzamido-2-benzyl-2-hydroxy-3-phenylpropanoic acid?
The InChIKey is NZOVLQWLBMWXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c25-21(19-14-8-3-9-15-19)24-20(18-12-6-2-7-13-18)23(28,22(26)27)16-17-10-4-1-5-11-17/h1-15,20,28H,16H2,(H,24,25)(H,26,27).
What are the key properties of 3-benzamido-2-benzyl-2-hydroxy-3-phenylpropanoic acid?
3-benzamido-2-benzyl-2-hydroxy-3-phenylpropanoic acid has a molecular weight of 375.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-2-benzyl-2-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 70209365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).