3-(3,4-diethoxyphenyl)prop-2-enamide

C13H17NO3 — CID 75266278

IUPAC3-(3,4-diethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(N)=O)cc1OCC
InChIInChI=1S/C13H17NO3/c1-3-16-11-7-5-10(6-8-13(14)15)9-12(11)17-4-2/h5-9H,3-4H2,1-2H3,(H2,14,15)
InChIKeyMDOHEMUDFJXENX-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.98
Rot. Bonds6

About 3-(3,4-diethoxyphenyl)prop-2-enamide

3-(3,4-diethoxyphenyl)prop-2-enamide (PubChem CID 75266278) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)prop-2-enamide
PubChem CID75266278
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(3,4-diethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(N)=O)cc1OCC
InChIInChI=1S/C13H17NO3/c1-3-16-11-7-5-10(6-8-13(14)15)9-12(11)17-4-2/h5-9H,3-4H2,1-2H3,(H2,14,15)
InChIKeyMDOHEMUDFJXENX-UHFFFAOYSA-N
XLogP1.98
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]prop-2-enoic acid
CID 57361203
3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603198
3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
CID 102603082
3-[3-ethoxy-4-(ethoxymethoxy)phenyl]prop-2-enoic acid
CID 77066570
3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603194
3-(4-butoxy-3-ethoxyphenyl)prop-2-enoic acid
CID 3838298
2-(3,4-diethoxyphenyl)ethenamine
CID 70502860
(E)-3-(3-ethoxy-4-pentoxyphenyl)prop-2-enoic acid
CID 9149606
(4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 732918
(4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 732910
(Z)-3-[4-(2-bromoethoxy)-3-methoxyphenyl]prop-2-enamide
CID 170877086
(E)-4-(3,4-diethoxyphenyl)but-3-enoic acid
CID 102534267

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)prop-2-enamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)prop-2-enamide (CID 75266278) is 3-(3,4-diethoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)prop-2-enamide is CCOc1ccc(C=CC(N)=O)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)prop-2-enamide?
The InChIKey is MDOHEMUDFJXENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-16-11-7-5-10(6-8-13(14)15)9-12(11)17-4-2/h5-9H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of 3-(3,4-diethoxyphenyl)prop-2-enamide?
3-(3,4-diethoxyphenyl)prop-2-enamide has a molecular weight of 235.28 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 75266278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).