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

C12H15NO4 — CID 6154037

IUPAC(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(N)=O)cc(OC)c1OC
InChIInChI=1S/C12H15NO4/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H2,13,14)/b5-4+
InChIKeyLRLKZVMLJBNNPE-SNAWJCMRSA-N
MW237.25 g/mol
LogP1.21
Rot. Bonds5

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

(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 6154037) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID6154037
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(N)=O)cc(OC)c1OC
InChIInChI=1S/C12H15NO4/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H2,13,14)/b5-4+
InChIKeyLRLKZVMLJBNNPE-SNAWJCMRSA-N
XLogP1.21
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.21
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 6154037) is (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(N)=O)cc(OC)c1OC.
What is the InChIKey of (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is LRLKZVMLJBNNPE-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H15NO4/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H2,13,14)/b5-4+.
What are the key properties of (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 237.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6154037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).