(E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide

C24H23NO2 — CID 138982111

IUPAC(E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide
SMILESO=C([C@@H](O)/C=C/c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H23NO2/c26-23(17-16-20-10-4-1-5-11-20)24(27)25(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22/h1-17,23,26H,18-19H2/b17-16+/t23-/m0/s1
InChIKeyKUJDVMXAIUTGEL-OFYULWLWSA-N
MW357.45 g/mol
LogP4.29
Rot. Bonds7

About (E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide

(E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide (PubChem CID 138982111) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide
PubChem CID138982111
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide
SMILESO=C([C@@H](O)/C=C/c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H23NO2/c26-23(17-16-20-10-4-1-5-11-20)24(27)25(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22/h1-17,23,26H,18-19H2/b17-16+/t23-/m0/s1
InChIKeyKUJDVMXAIUTGEL-OFYULWLWSA-N
XLogP4.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
CID 71399566
N,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide
CID 57055872
(E,2S,3R)-N,N-dibenzyl-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-eneselenoamide
CID 11145187
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
(E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide
CID 20870717
1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea
CID 108903240
(3R)-3-amino-N,N-dibenzyl-2-hydroxy-3-phenylpropanamide
CID 67829901
(E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide
CID 11077226
benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate
CID 134904469
[2-(dibenzylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7860757
2-amino-N,N-dibenzylacetamide
CID 11107897

Frequently Asked Questions

What is the IUPAC name of (E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide?
The IUPAC name of (E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide (CID 138982111) is (E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide.
What is the SMILES notation for (E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide?
The canonical SMILES for (E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide is O=C([C@@H](O)/C=C/c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide?
The InChIKey is KUJDVMXAIUTGEL-OFYULWLWSA-N. The full InChI is InChI=1S/C24H23NO2/c26-23(17-16-20-10-4-1-5-11-20)24(27)25(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22/h1-17,23,26H,18-19H2/b17-16+/t23-/m0/s1.
What are the key properties of (E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide?
(E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide has a molecular weight of 357.45 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide is sourced from PubChem (CID 138982111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).