(2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide

C25H28N2O3 — CID 134544444

IUPAC(2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide
SMILESCN(C(=O)[C@@H](N)[C@](C)(O)c1ccccc1)[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C25H28N2O3/c1-25(30,20-16-10-5-11-17-20)23(26)24(29)27(2)21(18-12-6-3-7-13-18)22(28)19-14-8-4-9-15-19/h3-17,21-23,28,30H,26H2,1-2H3/t21-,22-,23-,25-/m1/s1
InChIKeyWEOOSGHCAXMAFT-VWBWNGLSSA-N
MW404.51 g/mol
LogP3.15
Rot. Bonds7

About (2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide

(2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide (PubChem CID 134544444) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide
PubChem CID134544444
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name(2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide
SMILESCN(C(=O)[C@@H](N)[C@](C)(O)c1ccccc1)[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C25H28N2O3/c1-25(30,20-16-10-5-11-17-20)23(26)24(29)27(2)21(18-12-6-3-7-13-18)22(28)19-14-8-4-9-15-19/h3-17,21-23,28,30H,26H2,1-2H3/t21-,22-,23-,25-/m1/s1
InChIKeyWEOOSGHCAXMAFT-VWBWNGLSSA-N
XLogP3.15
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-3-(furan-2-yl)-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide
CID 134544678
(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one
CID 122674877
(2S)-2-amino-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-(2-methylphenyl)propanamide
CID 102443672
CID 100998329
CID 100998329
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylnitrous amide
CID 52937623
(2S,3S)-2-amino-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpropanamide
CID 134544727
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 102065194
(2R)-2-[amino(methyl)amino]-1,2-diphenylethanol;(Z)-but-2-enedioic acid
CID 161238687
tert-butyl N-[2-[(2-hydroxy-1,2-diphenylethyl)-methylamino]-2-oxoethyl]carbamate
CID 123313324
(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide
CID 102048863
(2S)-2-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypropyl]-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methylpent-4-enamide
CID 140928745
(2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide
CID 102384841

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide?
The IUPAC name of (2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide (CID 134544444) is (2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide.
What is the SMILES notation for (2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide?
The canonical SMILES for (2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide is CN(C(=O)[C@@H](N)[C@](C)(O)c1ccccc1)[C@H](c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide?
The InChIKey is WEOOSGHCAXMAFT-VWBWNGLSSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-25(30,20-16-10-5-11-17-20)23(26)24(29)27(2)21(18-12-6-3-7-13-18)22(28)19-14-8-4-9-15-19/h3-17,21-23,28,30H,26H2,1-2H3/t21-,22-,23-,25-/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide?
(2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide has a molecular weight of 404.51 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide is sourced from PubChem (CID 134544444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).