(E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide

C19H19NO2 — CID 110618434

IUPAC(E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
SMILESCC(=O)c1ccc(C)c(NC(=O)/C(C)=C/c2ccccc2)c1
InChIInChI=1S/C19H19NO2/c1-13-9-10-17(15(3)21)12-18(13)20-19(22)14(2)11-16-7-5-4-6-8-16/h4-12H,1-3H3,(H,20,22)/b14-11+
InChIKeyBVOSVPLPPNPDAL-SDNWHVSQSA-N
MW293.37 g/mol
LogP4.24
Rot. Bonds4

About (E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide

(E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide (PubChem CID 110618434) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
PubChem CID110618434
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
SMILESCC(=O)c1ccc(C)c(NC(=O)/C(C)=C/c2ccccc2)c1
InChIInChI=1S/C19H19NO2/c1-13-9-10-17(15(3)21)12-18(13)20-19(22)14(2)11-16-7-5-4-6-8-16/h4-12H,1-3H3,(H,20,22)/b14-11+
InChIKeyBVOSVPLPPNPDAL-SDNWHVSQSA-N
XLogP4.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.24
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

(E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 6261301
(E)-2-methyl-3-phenyl-N-(1,3,6-trimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)prop-2-enamide
CID 121018678
(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
CID 6512373
(Z)-N-(3-acetamidophenyl)-2-methyl-3-phenylprop-2-enamide
CID 889416
2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide
CID 2187766
4-chloro-3-[[(E)-2-methyl-3-(4-methylphenyl)prop-2-enoyl]amino]benzoic acid
CID 23292207
N-cyclopropyl-4-methyl-3-[[(2E,4E)-2-methyl-4-phenylhexa-2,4-dienoyl]amino]benzamide
CID 88565842
(E)-N-(3,4-difluorophenyl)-2-methyl-3-phenylprop-2-enamide
CID 6140397
methyl 4-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzoate
CID 2188759
methyl 2-[(2-methyl-3-phenylprop-2-enoyl)amino]benzoate
CID 890488
N-hydroxy-2-methyl-3-phenylprop-2-enamide
CID 141089970
2-[[(E)-2-methyl-3-(4-methylphenyl)prop-2-enoyl]amino]benzoic acid
CID 23292276

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide (CID 110618434) is (E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide is CC(=O)c1ccc(C)c(NC(=O)/C(C)=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide?
The InChIKey is BVOSVPLPPNPDAL-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H19NO2/c1-13-9-10-17(15(3)21)12-18(13)20-19(22)14(2)11-16-7-5-4-6-8-16/h4-12H,1-3H3,(H,20,22)/b14-11+.
What are the key properties of (E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide?
(E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide has a molecular weight of 293.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 110618434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).