(E)-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C13H17NO4 — CID 6435252

IUPAC(E)-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCNC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H17NO4/c1-14-12(15)6-5-9-7-10(16-2)13(18-4)11(8-9)17-3/h5-8H,1-4H3,(H,14,15)/b6-5+
InChIKeyIWUMZEUJTOEUIF-AATRIKPKSA-N
MW251.28 g/mol
LogP1.47
Rot. Bonds5

About (E)-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 6435252) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (E)-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID6435252
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(E)-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCNC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H17NO4/c1-14-12(15)6-5-9-7-10(16-2)13(18-4)11(8-9)17-3/h5-8H,1-4H3,(H,14,15)/b6-5+
InChIKeyIWUMZEUJTOEUIF-AATRIKPKSA-N
XLogP1.47
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.47
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

Piperlongumine
CID 637858
N-Trans-Sinapoyltyramine
CID 25245053
Cintriamide
CID 6154037
Methyl 3,4,5-trimethoxycinnamate
CID 735846
1-[3-(3,4,5-Trimethoxy-phenyl)-acryloyl]-5,6-dihydro-1H-pyridin-2-one
CID 643764
T 686
CID 6438903
1-(3,4,5-Trimethoxycinnamoyl)pyrrolidine
CID 808227
Dihydropiplartine
CID 689050
(E)-N-Allyl-3-(3,4,5-trimethoxyphenyl) acrylamide (1b)
CID 6444575
Cinnamamide, 3,4-dimethoxy-
CID 923439
1-(3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyl)-5,6-dihydropyridin-2(1H)-one
CID 15463390
(E)-N-Butyl-3-(3,4,5-trimethoxyphenyl) acrylamide (1c)
CID 6366207

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 6435252) is (E)-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is CNC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (E)-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is IWUMZEUJTOEUIF-AATRIKPKSA-N. The full InChI is InChI=1S/C13H17NO4/c1-14-12(15)6-5-9-7-10(16-2)13(18-4)11(8-9)17-3/h5-8H,1-4H3,(H,14,15)/b6-5+.
What are the key properties of (E)-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 251.28 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6435252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).