(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide

C17H17NO3 — CID 874970

IUPAC(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccccc2)cc(OC)c1
InChIInChI=1S/C17H17NO3/c1-20-15-10-14(11-16(12-15)21-2)18-17(19)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,18,19)/b9-8+
InChIKeyFHRNBQGLDFJWMM-CMDGGOBGSA-N
MW283.33 g/mol
LogP3.36
Rot. Bonds5

About (E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide

(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide (PubChem CID 874970) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
PubChem CID874970
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccccc2)cc(OC)c1
InChIInChI=1S/C17H17NO3/c1-20-15-10-14(11-16(12-15)21-2)18-17(19)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,18,19)/b9-8+
InChIKeyFHRNBQGLDFJWMM-CMDGGOBGSA-N
XLogP3.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
(E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 9192243
(E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide
CID 9096818
4-(3,5-dimethoxyanilino)-4-oxobut-2-enoic acid
CID 4102199
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768
(E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7668716
(E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26703055
(E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 9072399
N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide
CID 74572950
methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]benzoate
CID 732141
methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 26274205

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide (CID 874970) is (E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide is COc1cc(NC(=O)/C=C/c2ccccc2)cc(OC)c1.
What is the InChIKey of (E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide?
The InChIKey is FHRNBQGLDFJWMM-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-15-10-14(11-16(12-15)21-2)18-17(19)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,18,19)/b9-8+.
What are the key properties of (E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide?
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide has a molecular weight of 283.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 874970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).