(E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide

C19H20N2O2 — CID 54777118

IUPAC(E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCC(=O)Nc1cc(NC(=O)/C=C/c2ccc(C)cc2)ccc1C
InChIInChI=1S/C19H20N2O2/c1-13-4-7-16(8-5-13)9-11-19(23)21-17-10-6-14(2)18(12-17)20-15(3)22/h4-12H,1-3H3,(H,20,22)(H,21,23)/b11-9+
InChIKeyPQTSAPCLUWVRKB-PKNBQFBNSA-N
MW308.38 g/mol
LogP3.91
Rot. Bonds4

About (E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide

(E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 54777118) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID54777118
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCC(=O)Nc1cc(NC(=O)/C=C/c2ccc(C)cc2)ccc1C
InChIInChI=1S/C19H20N2O2/c1-13-4-7-16(8-5-13)9-11-19(23)21-17-10-6-14(2)18(12-17)20-15(3)22/h4-12H,1-3H3,(H,20,22)(H,21,23)/b11-9+
InChIKeyPQTSAPCLUWVRKB-PKNBQFBNSA-N
XLogP3.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.91
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-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 54777513
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 967235
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
(E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 897528
(E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 28867808
(E)-N-[(3-acetamido-4-methylphenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 54777402
(E)-N-(3-bromo-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84552549
(E)-3-(4-chlorophenyl)-N-(3-iodo-4-methylphenyl)prop-2-enamide
CID 7925553
(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 790357
(E)-3-(4-aminophenyl)-N-(3-bromo-4-methylphenyl)prop-2-enamide
CID 84553975
(E)-N-(3-acetamido-4-methylphenyl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
CID 55747060

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide (CID 54777118) is (E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide is CC(=O)Nc1cc(NC(=O)/C=C/c2ccc(C)cc2)ccc1C.
What is the InChIKey of (E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is PQTSAPCLUWVRKB-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-4-7-16(8-5-13)9-11-19(23)21-17-10-6-14(2)18(12-17)20-15(3)22/h4-12H,1-3H3,(H,20,22)(H,21,23)/b11-9+.
What are the key properties of (E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 308.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 54777118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).