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

C14H19NO4 — CID 175533762

IUPACN-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESC=CC(=O)N(CC)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-6-13(16)15(7-2)10-8-11(17-3)14(19-5)12(9-10)18-4/h6,8-9H,1,7H2,2-5H3
InChIKeyVESGVKZURFMXDD-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.25
Rot. Bonds6

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

N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 175533762) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID175533762
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESC=CC(=O)N(CC)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-6-13(16)15(7-2)10-8-11(17-3)14(19-5)12(9-10)18-4/h6,8-9H,1,7H2,2-5H3
InChIKeyVESGVKZURFMXDD-UHFFFAOYSA-N
XLogP2.25
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
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 N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 175533762) is N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide is C=CC(=O)N(CC)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is VESGVKZURFMXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-6-13(16)15(7-2)10-8-11(17-3)14(19-5)12(9-10)18-4/h6,8-9H,1,7H2,2-5H3.
What are the key properties of N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 265.31 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 175533762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).