(E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide

C18H16N2O3 — CID 9096818

IUPAC(E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccc(C#N)cc2)cc(OC)c1
InChIInChI=1S/C18H16N2O3/c1-22-16-9-15(10-17(11-16)23-2)20-18(21)8-7-13-3-5-14(12-19)6-4-13/h3-11H,1-2H3,(H,20,21)/b8-7+
InChIKeyNYUQRLOAPFUANS-BQYQJAHWSA-N
MW308.34 g/mol
LogP3.23
Rot. Bonds5

About (E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide

(E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide (PubChem CID 9096818) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide
PubChem CID9096818
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccc(C#N)cc2)cc(OC)c1
InChIInChI=1S/C18H16N2O3/c1-22-16-9-15(10-17(11-16)23-2)20-18(21)8-7-13-3-5-14(12-19)6-4-13/h3-11H,1-2H3,(H,20,21)/b8-7+
InChIKeyNYUQRLOAPFUANS-BQYQJAHWSA-N
XLogP3.23
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-cyanophenyl)-N-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134131212
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
(E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 9192243
(E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 917674
N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 3516334
(E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 43540424
(4-cyanophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 4117354
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8665263
(E)-3-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide
CID 122301600
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
(E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26703055
(E)-N-(3,5-dimethoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 9096622

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide (CID 9096818) is (E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide is COc1cc(NC(=O)/C=C/c2ccc(C#N)cc2)cc(OC)c1.
What is the InChIKey of (E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide?
The InChIKey is NYUQRLOAPFUANS-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-16-9-15(10-17(11-16)23-2)20-18(21)8-7-13-3-5-14(12-19)6-4-13/h3-11H,1-2H3,(H,20,21)/b8-7+.
What are the key properties of (E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide?
(E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide has a molecular weight of 308.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 9096818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).