3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide

C15H21NO4 — CID 102603198

IUPAC3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
SMILESCCOc1ccc(C=CC(=O)N(C)OC)cc1OCC
InChIInChI=1S/C15H21NO4/c1-5-19-13-9-7-12(11-14(13)20-6-2)8-10-15(17)16(3)18-4/h7-11H,5-6H2,1-4H3
InChIKeyJAXBWWKVZMESRS-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.52
Rot. Bonds7

About 3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide

3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide (PubChem CID 102603198) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
PubChem CID102603198
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
SMILESCCOc1ccc(C=CC(=O)N(C)OC)cc1OCC
InChIInChI=1S/C15H21NO4/c1-5-19-13-9-7-12(11-14(13)20-6-2)8-10-15(17)16(3)18-4/h7-11H,5-6H2,1-4H3
InChIKeyJAXBWWKVZMESRS-UHFFFAOYSA-N
XLogP2.52
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603194
(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 22347490
3-(3,4-diethoxyphenyl)prop-2-enamide
CID 75266278
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide
CID 60592337
N-(2-cyanoethyl)-3-(3,4-diethoxyphenyl)-N-methylprop-2-enamide
CID 78805506
(E)-1-(3,4-diethoxyphenyl)-5-(dimethylamino)pent-1-en-3-one chloride
CID 21228695
3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 719513
N-benzyl-3-(4-ethoxy-3-methoxyphenyl)-N-methylprop-2-enamide
CID 719551
(4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 732910
(Z)-N,N-bis(2-cyanoethyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 97435242
3-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 76856794
(E)-3-(3,4-diethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9440936

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide (CID 102603198) is 3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide is CCOc1ccc(C=CC(=O)N(C)OC)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide?
The InChIKey is JAXBWWKVZMESRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-19-13-9-7-12(11-14(13)20-6-2)8-10-15(17)16(3)18-4/h7-11H,5-6H2,1-4H3.
What are the key properties of 3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide?
3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide has a molecular weight of 279.34 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide is sourced from PubChem (CID 102603198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).