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

C16H23NO4 — CID 6366207

IUPAC(E)-N-butyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCCCCNC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H23NO4/c1-5-6-9-17-15(18)8-7-12-10-13(19-2)16(21-4)14(11-12)20-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18)/b8-7+
InChIKeyLUEZYPDVMFFBEP-BQYQJAHWSA-N
MW293.36 g/mol
LogP2.64
Rot. Bonds8

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

(E)-N-butyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 6366207) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (E)-N-butyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-butyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID6366207
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(E)-N-butyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCCCCNC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H23NO4/c1-5-6-9-17-15(18)8-7-12-10-13(19-2)16(21-4)14(11-12)20-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18)/b8-7+
InChIKeyLUEZYPDVMFFBEP-BQYQJAHWSA-N
XLogP2.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-butyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-butyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 6366207) is (E)-N-butyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-butyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-butyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is CCCCNC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (E)-N-butyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is LUEZYPDVMFFBEP-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-6-9-17-15(18)8-7-12-10-13(19-2)16(21-4)14(11-12)20-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18)/b8-7+.
What are the key properties of (E)-N-butyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-butyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 293.36 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6366207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).