(E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide

C18H19NO — CID 6247193

IUPAC(E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H19NO/c1-14(13-16-9-5-3-6-10-16)18(20)19-15(2)17-11-7-4-8-12-17/h3-13,15H,1-2H3,(H,19,20)/b14-13+
InChIKeyPQNQEHZYCFSXQO-BUHFOSPRSA-N
MW265.36 g/mol
LogP3.97
Rot. Bonds4

About (E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide

(E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide (PubChem CID 6247193) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide
PubChem CID6247193
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H19NO/c1-14(13-16-9-5-3-6-10-16)18(20)19-15(2)17-11-7-4-8-12-17/h3-13,15H,1-2H3,(H,19,20)/b14-13+
InChIKeyPQNQEHZYCFSXQO-BUHFOSPRSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-bromo-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 716253
(Z)-3-methyl-4-oxo-4-(1-phenylethylamino)but-2-enoic acid
CID 56726263
(E)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]-3-phenylprop-2-enamide
CID 110306089
(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 99822584
N-hydroxy-2-methyl-3-phenylprop-2-enamide
CID 141089970
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
2-methyl-N-nitro-3-phenylprop-2-enamide
CID 66709876
(E)-2-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-3-phenylprop-2-enamide
CID 110306209
(E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide
CID 2095128
(Z)-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]but-2-enediamide
CID 98573401
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
(Z)-3-(3-bromophenyl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 40600136

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide (CID 6247193) is (E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide is C/C(=C\c1ccccc1)C(=O)NC(C)c1ccccc1.
What is the InChIKey of (E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide?
The InChIKey is PQNQEHZYCFSXQO-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H19NO/c1-14(13-16-9-5-3-6-10-16)18(20)19-15(2)17-11-7-4-8-12-17/h3-13,15H,1-2H3,(H,19,20)/b14-13+.
What are the key properties of (E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide?
(E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide has a molecular weight of 265.36 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide is sourced from PubChem (CID 6247193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).