(E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide

C24H21NO2 — CID 10736922

IUPAC(E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide
SMILESCC(=O)N(C(=O)/C=C/c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO2/c1-19(26)25(23(27)18-17-20-11-5-2-6-12-20)24(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18,24H,1H3/b18-17+
InChIKeyOBBWHLXQGYPBQH-ISLYRVAYSA-N
MW355.44 g/mol
LogP4.86
Rot. Bonds5

About (E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide

(E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide (PubChem CID 10736922) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide
PubChem CID10736922
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name(E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide
SMILESCC(=O)N(C(=O)/C=C/c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO2/c1-19(26)25(23(27)18-17-20-11-5-2-6-12-20)24(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18,24H,1H3/b18-17+
InChIKeyOBBWHLXQGYPBQH-ISLYRVAYSA-N
XLogP4.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dihydroxy-3-phenylprop-2-enamide
CID 141104282
N-(2-oxo-1,4-diphenylbut-3-enyl)acetamide
CID 71375700
acetyl 3-phenylprop-2-enoate
CID 57206996
N-fluoro-3-phenyl-N-propan-2-ylprop-2-enamide
CID 54163690
(E)-N-acetyl-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273810
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid
CID 54019383
2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 71306931
acetic acid;stilbene
CID 172803728
(E)-4-fluoro-1-phenylpent-1-en-3-one
CID 164677372

Frequently Asked Questions

What is the IUPAC name of (E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide (CID 10736922) is (E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide is CC(=O)N(C(=O)/C=C/c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide?
The InChIKey is OBBWHLXQGYPBQH-ISLYRVAYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-19(26)25(23(27)18-17-20-11-5-2-6-12-20)24(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18,24H,1H3/b18-17+.
What are the key properties of (E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide?
(E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide has a molecular weight of 355.44 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide is sourced from PubChem (CID 10736922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).