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

C13H17NO4 — CID 22347490

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(C)OC)cc1OC
InChIInChI=1S/C13H17NO4/c1-14(18-4)13(15)8-6-10-5-7-11(16-2)12(9-10)17-3/h5-9H,1-4H3/b8-6+
InChIKeyFWYRXHZCGQXSLG-SOFGYWHQSA-N
MW251.28 g/mol
LogP1.74
Rot. Bonds5

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

(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide (PubChem CID 22347490) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
PubChem CID22347490
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(C)OC)cc1OC
InChIInChI=1S/C13H17NO4/c1-14(18-4)13(15)8-6-10-5-7-11(16-2)12(9-10)17-3/h5-9H,1-4H3/b8-6+
InChIKeyFWYRXHZCGQXSLG-SOFGYWHQSA-N
XLogP1.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603194
3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603198
(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one;ethane
CID 143217008
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide
CID 14237547
(1E,6E)-1,7-bis(3,4-dimethoxyphenyl)-4-(dimethylaminomethylidene)hepta-1,6-diene-3,5-dione
CID 25003728
7-(3,4-dimethoxyphenyl)hept-6-ene-2,5-dione
CID 68770825
(E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 39244350
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
1-(3,4-dimethoxyphenyl)pent-1-en-3-one
CID 85437711
3-(3,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 3618998

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide (CID 22347490) is (E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide is COc1ccc(/C=C/C(=O)N(C)OC)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide?
The InChIKey is FWYRXHZCGQXSLG-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H17NO4/c1-14(18-4)13(15)8-6-10-5-7-11(16-2)12(9-10)17-3/h5-9H,1-4H3/b8-6+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide has a molecular weight of 251.28 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide is sourced from PubChem (CID 22347490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).