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

C23H21NO2 — CID 138982001

IUPAC(E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C23H21NO2/c25-21(17-16-18-10-4-1-5-11-18)23(26)24-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,21-22,25H,(H,24,26)/b17-16+/t21-/m0/s1
InChIKeyWSIRKQHCWHDLST-PQORCFSTSA-N
MW343.43 g/mol
LogP3.97
Rot. Bonds6

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

(E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide (PubChem CID 138982001) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide
PubChem CID138982001
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name(E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C23H21NO2/c25-21(17-16-18-10-4-1-5-11-18)23(26)24-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,21-22,25H,(H,24,26)/b17-16+/t21-/m0/s1
InChIKeyWSIRKQHCWHDLST-PQORCFSTSA-N
XLogP3.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2,4-diphenylbut-3-enoic acid
CID 3246496
(E)-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947102
(E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 132760659
(E)-N-[(R)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947103
(2S)-N-benzhydryl-2-chloropropanamide
CID 2113355
N-benzhydryl-2-sulfanylpropanamide
CID 107022267
2,2-dichloro-N-[1-[(2,2-dichloroacetyl)amino]-3-phenylprop-2-enyl]acetamide
CID 71443805
methyl 3-hydroxy-2-methylidene-5-phenylpent-4-enoate
CID 71340290
3-phenylprop-2-ene-1,1-diol
CID 54432533
[(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid
CID 21325895
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
CID 71399566

Frequently Asked Questions

What is the IUPAC name of (E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide?
The IUPAC name of (E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide (CID 138982001) is (E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide.
What is the SMILES notation for (E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide?
The canonical SMILES for (E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide is O=C(NC(c1ccccc1)c1ccccc1)[C@@H](O)/C=C/c1ccccc1.
What is the InChIKey of (E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide?
The InChIKey is WSIRKQHCWHDLST-PQORCFSTSA-N. The full InChI is InChI=1S/C23H21NO2/c25-21(17-16-18-10-4-1-5-11-18)23(26)24-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,21-22,25H,(H,24,26)/b17-16+/t21-/m0/s1.
What are the key properties of (E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide?
(E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide has a molecular weight of 343.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide is sourced from PubChem (CID 138982001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).