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

C17H25NO4 — CID 102603314

IUPAC3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)NCCCOC)cc1OCC
InChIInChI=1S/C17H25NO4/c1-4-21-15-9-7-14(13-16(15)22-5-2)8-10-17(19)18-11-6-12-20-3/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyOWRWJOZPPAMXIW-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.65
Rot. Bonds10

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

3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide (PubChem CID 102603314) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
PubChem CID102603314
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)NCCCOC)cc1OCC
InChIInChI=1S/C17H25NO4/c1-4-21-15-9-7-14(13-16(15)22-5-2)8-10-17(19)18-11-6-12-20-3/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyOWRWJOZPPAMXIW-UHFFFAOYSA-N
XLogP2.65
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.65
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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Related Compounds

3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
CID 102603082
3-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]propanoic acid
CID 131846364
3-(3,4-diethoxyphenyl)-N-(5-hydroxy-4,4-dimethylpentyl)prop-2-enamide
CID 71848397
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]butanoic acid
CID 131846334
N-[2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 38203835
3-(4-ethoxy-3-methoxyphenyl)-N-(2-phenoxyethyl)prop-2-enamide
CID 102603120
(E)-N-(2-aminoethyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 82335664
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 26851284
N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 33317052
3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 4676391
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 38573380

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide (CID 102603314) is 3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide is CCOc1ccc(C=CC(=O)NCCCOC)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide?
The InChIKey is OWRWJOZPPAMXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-4-21-15-9-7-14(13-16(15)22-5-2)8-10-17(19)18-11-6-12-20-3/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19).
What are the key properties of 3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide?
3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide has a molecular weight of 307.39 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide is sourced from PubChem (CID 102603314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).