(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide

C23H20N2O2 — CID 17102397

IUPAC(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c26-22(16-11-18-7-3-1-4-8-18)24-20-12-14-21(15-13-20)25-23(27)17-19-9-5-2-6-10-19/h1-16H,17H2,(H,24,26)(H,25,27)/b16-11+
InChIKeyZXRAOPIKVZJXPE-LFIBNONCSA-N
MW356.43 g/mol
LogP4.52
Rot. Bonds6

About (E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide

(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide (PubChem CID 17102397) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
PubChem CID17102397
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c26-22(16-11-18-7-3-1-4-8-18)24-20-12-14-21(15-13-20)25-23(27)17-19-9-5-2-6-10-19/h1-16H,17H2,(H,24,26)(H,25,27)/b16-11+
InChIKeyZXRAOPIKVZJXPE-LFIBNONCSA-N
XLogP4.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide
CID 11231080
(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide
CID 35332007
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]acetic acid
CID 12818891
3-(2,4-dichlorophenyl)-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 5139454
N-(4-formylphenyl)-2-phenylacetamide
CID 56932050
N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 4928891
2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid
CID 12818880
N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]-3-phenylpropanamide
CID 17233523
[4-(3-phenylprop-2-enoylamino)phenyl] 3-phenylprop-2-enoate
CID 1234500
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide (CID 17102397) is (E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of (E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide?
The InChIKey is ZXRAOPIKVZJXPE-LFIBNONCSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-22(16-11-18-7-3-1-4-8-18)24-20-12-14-21(15-13-20)25-23(27)17-19-9-5-2-6-10-19/h1-16H,17H2,(H,24,26)(H,25,27)/b16-11+.
What are the key properties of (E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide?
(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide has a molecular weight of 356.43 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 17102397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).