(2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide

C32H34N2O2 — CID 142682853

IUPAC(2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide
SMILESO=C(NCCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H34N2O2/c35-31(32(36)33-22-21-26-13-5-1-6-14-26)30(23-27-15-7-2-8-16-27)34(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20,30-31,35H,21-25H2,(H,33,36)/t30-,31+/m0/s1
InChIKeyFJIBYKGUUXBYEQ-IOWSJCHKSA-N
MW478.64 g/mol
LogP5.02
Rot. Bonds12

About (2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide

(2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide (PubChem CID 142682853) has the molecular formula C32H34N2O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is (2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name(2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide
PubChem CID142682853
Molecular FormulaC32H34N2O2
Molecular Weight478.64 g/mol
Exact Mass478.26
IUPAC Name(2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide
SMILESO=C(NCCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H34N2O2/c35-31(32(36)33-22-21-26-13-5-1-6-14-26)30(23-27-15-7-2-8-16-27)34(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20,30-31,35H,21-25H2,(H,33,36)/t30-,31+/m0/s1
InChIKeyFJIBYKGUUXBYEQ-IOWSJCHKSA-N
XLogP5.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid
CID 11849655
(2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol
CID 58894379
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide
CID 92529727
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
[3-(dibenzylamino)-2-hydroxy-4-phenylbutyl] acetate
CID 53395265
actinium;3-(dibenzylamino)-2-hydroxy-4-phenylbutanenitrile;3-(dibenzylamino)-2-hydroxy-4-phenylbutanoic acid
CID 161029235
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea
CID 108902247
(2S)-2-bromo-N-(2-phenylethyl)butanamide
CID 51659927
ethyl (3S,4S)-4-(dibenzylamino)-3-hydroxy-5-phenylpentanoate
CID 14463509
(2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol
CID 11142964

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide?
The IUPAC name of (2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide (CID 142682853) is (2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide.
What is the SMILES notation for (2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide?
The canonical SMILES for (2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide is O=C(NCCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide?
The InChIKey is FJIBYKGUUXBYEQ-IOWSJCHKSA-N. The full InChI is InChI=1S/C32H34N2O2/c35-31(32(36)33-22-21-26-13-5-1-6-14-26)30(23-27-15-7-2-8-16-27)34(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20,30-31,35H,21-25H2,(H,33,36)/t30-,31+/m0/s1.
What are the key properties of (2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide?
(2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide has a molecular weight of 478.64 g/mol, XLogP of 5.02, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 142682853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).