(E)-3-(3,4-dimethoxyphenyl)prop-2-enamide

C11H13NO3 — CID 923439

IUPAC(E)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(N)=O)cc1OC
InChIInChI=1S/C11H13NO3/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H2,12,13)/b6-4+
InChIKeyQUKZILHYXHKAKT-GQCTYLIASA-N
MW207.23 g/mol
LogP1.20
Rot. Bonds4

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

(E)-3-(3,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 923439) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)prop-2-enamide
PubChem CID923439
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(N)=O)cc1OC
InChIInChI=1S/C11H13NO3/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H2,12,13)/b6-4+
InChIKeyQUKZILHYXHKAKT-GQCTYLIASA-N
XLogP1.20
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.20
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

Methyleugenol
CID 7127
Methylisoeugenol
CID 637776
Homoveratrylamine
CID 8421
Dehydrozingerone
CID 5354238
Isoeugenyl methyl ether
CID 1549045
3,4-Dimethoxycinnamic acid
CID 717531
3,4-Dimethoxystyrene
CID 61400
Methyl isoeugenol
CID 7128
3,4-Dimethoxytoluene
CID 68126
Vanillylidene acetone
CID 59039607
4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one
CID 14121
Cintriamide
CID 6154037

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)prop-2-enamide (CID 923439) is (E)-3-(3,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(N)=O)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is QUKZILHYXHKAKT-GQCTYLIASA-N. The full InChI is InChI=1S/C11H13NO3/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H2,12,13)/b6-4+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 207.23 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 923439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).