(2S)-N-benzyl-2-hydroxy-3-phenylpropanamide

C16H17NO2 — CID 71745606

IUPAC(2S)-N-benzyl-2-hydroxy-3-phenylpropanamide
SMILESO=C(NCc1ccccc1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C16H17NO2/c18-15(11-13-7-3-1-4-8-13)16(19)17-12-14-9-5-2-6-10-14/h1-10,15,18H,11-12H2,(H,17,19)/t15-/m0/s1
InChIKeyNUNUCECFYVGTMH-HNNXBMFYSA-N
MW255.32 g/mol
LogP1.91
Rot. Bonds5

About (2S)-N-benzyl-2-hydroxy-3-phenylpropanamide

(2S)-N-benzyl-2-hydroxy-3-phenylpropanamide (PubChem CID 71745606) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2S)-N-benzyl-2-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-hydroxy-3-phenylpropanamide
PubChem CID71745606
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(2S)-N-benzyl-2-hydroxy-3-phenylpropanamide
SMILESO=C(NCc1ccccc1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C16H17NO2/c18-15(11-13-7-3-1-4-8-13)16(19)17-12-14-9-5-2-6-10-14/h1-10,15,18H,11-12H2,(H,17,19)/t15-/m0/s1
InChIKeyNUNUCECFYVGTMH-HNNXBMFYSA-N
XLogP1.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 852848
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N1,N3-Bis[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethylpropanediamide
CID 24209868
N-Benzoyl-3-phenylisoserine, (2R,3S)-
CID 2762289
N,N'-(1,3-Phenylenebis(methylene))bis(12-hydroxyoctadecanamide)
CID 18471332
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
D-erythro-MAPP
CID 124735
N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 744627
N-(1-Hydroxy-3-Phenylpropan-2-Yl)Benzamide
CID 100005
N-(1-Hydroxy-2-oxo-2-phenyl-ethyl)-benzamide
CID 2830272
Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, methyl ester, (alphaR,betaS)-
CID 182104

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-hydroxy-3-phenylpropanamide?
The IUPAC name of (2S)-N-benzyl-2-hydroxy-3-phenylpropanamide (CID 71745606) is (2S)-N-benzyl-2-hydroxy-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-benzyl-2-hydroxy-3-phenylpropanamide?
The canonical SMILES for (2S)-N-benzyl-2-hydroxy-3-phenylpropanamide is O=C(NCc1ccccc1)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-hydroxy-3-phenylpropanamide?
The InChIKey is NUNUCECFYVGTMH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-15(11-13-7-3-1-4-8-13)16(19)17-12-14-9-5-2-6-10-14/h1-10,15,18H,11-12H2,(H,17,19)/t15-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-hydroxy-3-phenylpropanamide?
(2S)-N-benzyl-2-hydroxy-3-phenylpropanamide has a molecular weight of 255.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 71745606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).