3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide

C12H15NO3 — CID 3618998

IUPAC3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
SMILESCNC(=O)C=Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C12H15NO3/c1-13-12(14)7-5-9-4-6-10(15-2)11(8-9)16-3/h4-8H,1-3H3,(H,13,14)
InChIKeyYCZPDOSZHLUPLC-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.46
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide

3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide (PubChem CID 3618998) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
PubChem CID3618998
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
SMILESCNC(=O)C=Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C12H15NO3/c1-13-12(14)7-5-9-4-6-10(15-2)11(8-9)16-3/h4-8H,1-3H3,(H,13,14)
InChIKeyYCZPDOSZHLUPLC-UHFFFAOYSA-N
XLogP1.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.46
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)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 6366846
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 912467
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one;ethane
CID 143217008
3-(3,4-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 74852248
3-(3,4-dimethoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 28119
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 92674332
(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 912474

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide (CID 3618998) is 3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide is CNC(=O)C=Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is YCZPDOSZHLUPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-13-12(14)7-5-9-4-6-10(15-2)11(8-9)16-3/h4-8H,1-3H3,(H,13,14).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide?
3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 221.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 3618998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).