N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide

C19H21NO4 — CID 680257

IUPACN-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H21NO4/c1-4-24-15-8-5-14(6-9-15)7-12-19(21)20-17-11-10-16(22-2)13-18(17)23-3/h5-13H,4H2,1-3H3,(H,20,21)
InChIKeyAQVHZNFMKIMZIK-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.75
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide

N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 680257) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID680257
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H21NO4/c1-4-24-15-8-5-14(6-9-15)7-12-19(21)20-17-11-10-16(22-2)13-18(17)23-3/h5-13H,4H2,1-3H3,(H,20,21)
InChIKeyAQVHZNFMKIMZIK-UHFFFAOYSA-N
XLogP3.75
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(cyanomethoxy)phenyl]-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 26734981
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(4-ethoxyphenyl)prop-2-enoate
CID 71953264
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 732460
N-(2,4-dimethoxyphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
CID 4093038
N-[4-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2,5-dimethoxyphenyl]benzamide
CID 4642812
(E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 17393859
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
(E)-N-(2,4-dimethoxyphenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 18272734
N-(2-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 103598924
(E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501086
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 1186028

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide (CID 680257) is N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(C=CC(=O)Nc2ccc(OC)cc2OC)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is AQVHZNFMKIMZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-24-15-8-5-14(6-9-15)7-12-19(21)20-17-11-10-16(22-2)13-18(17)23-3/h5-13H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 327.38 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 680257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).