3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide

C16H23NO3 — CID 102603082

IUPAC3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
SMILESCCCNC(=O)C=Cc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C16H23NO3/c1-4-11-17-16(18)10-8-13-7-9-14(19-5-2)15(12-13)20-6-3/h7-10,12H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyJJSQWJOENIVLCL-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.02
Rot. Bonds8

About 3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide

3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide (PubChem CID 102603082) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
PubChem CID102603082
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
SMILESCCCNC(=O)C=Cc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C16H23NO3/c1-4-11-17-16(18)10-8-13-7-9-14(19-5-2)15(12-13)20-6-3/h7-10,12H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyJJSQWJOENIVLCL-UHFFFAOYSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.02
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-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]propanoic acid
CID 131846364
3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 102603314
N-[2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 38203835
(E)-N-(2-aminoethyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 82335664
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563
3-(3,4-diethoxyphenyl)-N-[2-(pyrimidin-2-ylamino)ethyl]prop-2-enamide
CID 55932798
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 26851284
3-(3,4-diethoxyphenyl)-N-(5-hydroxy-4,4-dimethylpentyl)prop-2-enamide
CID 71848397
N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 33317052
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]butanoic acid
CID 131846334
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 51222198
(E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide
CID 9103990

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide (CID 102603082) is 3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide is CCCNC(=O)C=Cc1ccc(OCC)c(OCC)c1.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide?
The InChIKey is JJSQWJOENIVLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-11-17-16(18)10-8-13-7-9-14(19-5-2)15(12-13)20-6-3/h7-10,12H,4-6,11H2,1-3H3,(H,17,18).
What are the key properties of 3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide?
3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide has a molecular weight of 277.36 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide is sourced from PubChem (CID 102603082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).