(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide

C16H17NO3 — CID 71048663

IUPAC(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide
SMILESO=C(NCc1ccccc1)[C@@H](O)[C@H](O)c1ccccc1
InChIInChI=1S/C16H17NO3/c18-14(13-9-5-2-6-10-13)15(19)16(20)17-11-12-7-3-1-4-8-12/h1-10,14-15,18-19H,11H2,(H,17,20)/t14-,15+/m1/s1
InChIKeyMZVHFVSNJUYCQB-CABCVRRESA-N
MW271.32 g/mol
LogP1.40
Rot. Bonds5

About (2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide

(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide (PubChem CID 71048663) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide
PubChem CID71048663
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide
SMILESO=C(NCc1ccccc1)[C@@H](O)[C@H](O)c1ccccc1
InChIInChI=1S/C16H17NO3/c18-14(13-9-5-2-6-10-13)15(19)16(20)17-11-12-7-3-1-4-8-12/h1-10,14-15,18-19H,11H2,(H,17,20)/t14-,15+/m1/s1
InChIKeyMZVHFVSNJUYCQB-CABCVRRESA-N
XLogP1.40
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71428233
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(2R)-N-benzyl-2-[(S)-hydroxy(phenyl)methyl]pent-4-enamide
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N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
CID 70849144
3-(1,3-benzothiazol-2-yl)-N-benzyl-2,3-dihydroxypropanamide
CID 110879660
N-benzyl-2-(benzylamino)-2-phenylacetamide
CID 3577871
N'-benzyl-2-phenylpropanediamide
CID 57080466
2-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 82130126
(2S)-N-benzyl-2-hydroxy-4-methylpentanamide
CID 10822877
(2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide
CID 59636946
N-benzyl-2-methylpropanamide;methane
CID 160760567
N-benzyl-3-hydroxy-3-phenylpropanamide
CID 15473661

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide?
The IUPAC name of (2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide (CID 71048663) is (2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide.
What is the SMILES notation for (2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide?
The canonical SMILES for (2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide is O=C(NCc1ccccc1)[C@@H](O)[C@H](O)c1ccccc1.
What is the InChIKey of (2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide?
The InChIKey is MZVHFVSNJUYCQB-CABCVRRESA-N. The full InChI is InChI=1S/C16H17NO3/c18-14(13-9-5-2-6-10-13)15(19)16(20)17-11-12-7-3-1-4-8-12/h1-10,14-15,18-19H,11H2,(H,17,20)/t14-,15+/m1/s1.
What are the key properties of (2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide?
(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide has a molecular weight of 271.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide is sourced from PubChem (CID 71048663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).