(E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide

C18H18N2O2 — CID 87529383

IUPAC(E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide
SMILESCN(C)/C=C(/C(=O)Nc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-20(2)13-16(17(21)14-9-5-3-6-10-14)18(22)19-15-11-7-4-8-12-15/h3-13H,1-2H3,(H,19,22)/b16-13+
InChIKeySFYVGAJCTXEWNV-DTQAZKPQSA-N
MW294.35 g/mol
LogP2.95
Rot. Bonds5

About (E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide

(E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide (PubChem CID 87529383) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide
PubChem CID87529383
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide
SMILESCN(C)/C=C(/C(=O)Nc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-20(2)13-16(17(21)14-9-5-3-6-10-14)18(22)19-15-11-7-4-8-12-15/h3-13H,1-2H3,(H,19,22)/b16-13+
InChIKeySFYVGAJCTXEWNV-DTQAZKPQSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(E)-2-benzoyl-N,3-diphenylprop-2-enamide
CID 9448914
(Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide
CID 22301644
3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane
CID 90689450
N-[5-[benzenecarbonoselenoyl(methyl)amino]-3-(dimethylaminomethylidene)-2,4-dioxopentyl]-N-methylbenzenecarboselenoamide
CID 148520814
N'-hydroxy-N-phenyloxamide
CID 5008441
1-chloro-1-methyl-3-phenylurea
CID 173170547
N-(4-bromophenyl)-2-oxo-2-phenylacetamide
CID 15620422
N-(3-methylphenyl)-2-oxo-2-phenylacetamide
CID 82117205
(E,2E)-3-amino-2-ethylidene-N-phenylpent-3-enamide;ethane;methane
CID 142888465
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708
(E,2E,5Z)-2-ethylidene-3-formyl-N',N'-dimethyl-5-(2-oxoethylidene)-N-phenylhex-3-enediamide
CID 143906121
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505

Frequently Asked Questions

What is the IUPAC name of (E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide?
The IUPAC name of (E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide (CID 87529383) is (E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide?
The canonical SMILES for (E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide is CN(C)/C=C(/C(=O)Nc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide?
The InChIKey is SFYVGAJCTXEWNV-DTQAZKPQSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-20(2)13-16(17(21)14-9-5-3-6-10-14)18(22)19-15-11-7-4-8-12-15/h3-13H,1-2H3,(H,19,22)/b16-13+.
What are the key properties of (E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide?
(E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide has a molecular weight of 294.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzoyl-3-(dimethylamino)-N-phenylprop-2-enamide is sourced from PubChem (CID 87529383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).