(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide

C18H19NO2 — CID 790357

IUPAC(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H19NO2/c1-13-4-8-16(12-14(13)2)19-18(20)11-7-15-5-9-17(21-3)10-6-15/h4-12H,1-3H3,(H,19,20)/b11-7+
InChIKeyVEDVHKGLRNOLNB-YRNVUSSQSA-N
MW281.36 g/mol
LogP3.96
Rot. Bonds4

About (E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 790357) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID790357
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H19NO2/c1-13-4-8-16(12-14(13)2)19-18(20)11-7-15-5-9-17(21-3)10-6-15/h4-12H,1-3H3,(H,19,20)/b11-7+
InChIKeyVEDVHKGLRNOLNB-YRNVUSSQSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.96
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

N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 883171
(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 897806
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
(E)-3-[4-(cyanomethoxy)phenyl]-N-(3,4-dimethylphenyl)prop-2-enamide
CID 26593794
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 967235
(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 954315
N-(4-bromo-3-methylphenyl)-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 9095951
(E)-3-(3,4-dimethoxyphenyl)-N-(3-iodo-4-methylphenyl)prop-2-enamide
CID 2676703
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-(3,4-dimethylphenyl)prop-2-enamide
CID 36676916
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 790357) is (E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of (E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is VEDVHKGLRNOLNB-YRNVUSSQSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-4-8-16(12-14(13)2)19-18(20)11-7-15-5-9-17(21-3)10-6-15/h4-12H,1-3H3,(H,19,20)/b11-7+.
What are the key properties of (E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 790357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).