(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide

C24H19NO2 — CID 5286756

IUPAC(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cccc(C(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C24H19NO2/c26-23(16-14-19-8-3-1-4-9-19)21-12-7-13-22(18-21)25-24(27)17-15-20-10-5-2-6-11-20/h1-18H,(H,25,27)/b16-14+,17-15+
InChIKeyIDQPTCRJETUHHJ-YXLFCKQPSA-N
MW353.42 g/mol
LogP5.23
Rot. Bonds6

About (E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide

(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide (PubChem CID 5286756) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is (E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
PubChem CID5286756
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cccc(C(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C24H19NO2/c26-23(16-14-19-8-3-1-4-9-19)21-12-7-13-22(18-21)25-24(27)17-15-20-10-5-2-6-11-20/h1-18H,(H,25,27)/b16-14+,17-15+
InChIKeyIDQPTCRJETUHHJ-YXLFCKQPSA-N
XLogP5.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]benzoate
CID 732141
N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide
CID 2832490
N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
3-[[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 11962227
3-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,2,4-triazol-4-yl)benzamide
CID 21369505
N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858788
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858697
2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]acetic acid
CID 12818891
N-methyl-3-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]benzamide
CID 38924103
N-(3-chloro-4-fluorophenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 26166587

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide (CID 5286756) is (E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide?
The InChIKey is IDQPTCRJETUHHJ-YXLFCKQPSA-N. The full InChI is InChI=1S/C24H19NO2/c26-23(16-14-19-8-3-1-4-9-19)21-12-7-13-22(18-21)25-24(27)17-15-20-10-5-2-6-11-20/h1-18H,(H,25,27)/b16-14+,17-15+.
What are the key properties of (E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide?
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide has a molecular weight of 353.42 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 5286756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).