(2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide

C20H24N2O4 — CID 59636946

IUPAC(2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide
SMILESC[C@H](Cc1ccccc1)NC(=O)[C@H](O)[C@@H](O)C(=O)NCc1ccccc1
InChIInChI=1S/C20H24N2O4/c1-14(12-15-8-4-2-5-9-15)22-20(26)18(24)17(23)19(25)21-13-16-10-6-3-7-11-16/h2-11,14,17-18,23-24H,12-13H2,1H3,(H,21,25)(H,22,26)/t14-,17-,18-/m1/s1
InChIKeyHTFWBRMDCNSGQI-ZTFGCOKTSA-N
MW356.42 g/mol
LogP0.77
Rot. Bonds8

About (2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide

(2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide (PubChem CID 59636946) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide.

Molecular Properties

Compound Name(2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide
PubChem CID59636946
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide
SMILESC[C@H](Cc1ccccc1)NC(=O)[C@H](O)[C@@H](O)C(=O)NCc1ccccc1
InChIInChI=1S/C20H24N2O4/c1-14(12-15-8-4-2-5-9-15)22-20(26)18(24)17(23)19(25)21-13-16-10-6-3-7-11-16/h2-11,14,17-18,23-24H,12-13H2,1H3,(H,21,25)(H,22,26)/t14-,17-,18-/m1/s1
InChIKeyHTFWBRMDCNSGQI-ZTFGCOKTSA-N
XLogP0.77
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
CID 71428235
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
2,2-diphenyl-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 1375536
2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 89079838
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
CID 79012840
(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide
CID 71048663
(2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide
CID 142702802
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
(2R)-N-benzyl-2-hydroxy-5-methyl-3-(methylamino)hexanamide
CID 142265085

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide?
The IUPAC name of (2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide (CID 59636946) is (2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide.
What is the SMILES notation for (2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide?
The canonical SMILES for (2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide is C[C@H](Cc1ccccc1)NC(=O)[C@H](O)[C@@H](O)C(=O)NCc1ccccc1.
What is the InChIKey of (2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide?
The InChIKey is HTFWBRMDCNSGQI-ZTFGCOKTSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14(12-15-8-4-2-5-9-15)22-20(26)18(24)17(23)19(25)21-13-16-10-6-3-7-11-16/h2-11,14,17-18,23-24H,12-13H2,1H3,(H,21,25)(H,22,26)/t14-,17-,18-/m1/s1.
What are the key properties of (2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide?
(2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide has a molecular weight of 356.42 g/mol, XLogP of 0.77, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide is sourced from PubChem (CID 59636946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).