(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide

C17H16N2O2 — CID 875192

IUPAC(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
SMILESCC(=O)Nc1ccccc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13(20)18-15-9-5-6-10-16(15)19-17(21)12-11-14-7-3-2-4-8-14/h2-12H,1H3,(H,18,20)(H,19,21)/b12-11+
InChIKeyLJXJWIKTWHHCKR-VAWYXSNFSA-N
MW280.33 g/mol
LogP3.30
Rot. Bonds4

About (E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide

(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide (PubChem CID 875192) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
PubChem CID875192
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
SMILESCC(=O)Nc1ccccc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13(20)18-15-9-5-6-10-16(15)19-17(21)12-11-14-7-3-2-4-8-14/h2-12H,1H3,(H,18,20)(H,19,21)/b12-11+
InChIKeyLJXJWIKTWHHCKR-VAWYXSNFSA-N
XLogP3.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.30
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

ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
2-(3-phenylprop-2-enoylamino)benzoate
CID 6935692
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide
CID 43601058
N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide
CID 154425563
3,4-bis[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 35209489
(E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide
CID 10611794
N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide
CID 5153514
N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide
CID 139612240
N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 4248844

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide (CID 875192) is (E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide is CC(=O)Nc1ccccc1NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide?
The InChIKey is LJXJWIKTWHHCKR-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13(20)18-15-9-5-6-10-16(15)19-17(21)12-11-14-7-3-2-4-8-14/h2-12H,1H3,(H,18,20)(H,19,21)/b12-11+.
What are the key properties of (E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide?
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide has a molecular weight of 280.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 875192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).