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

C19H21NO4 — CID 5102222

IUPACN-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H21NO4/c1-4-24-16-9-5-14(6-10-16)7-12-19(21)20-15-8-11-17(22-2)18(13-15)23-3/h5-13H,4H2,1-3H3,(H,20,21)
InChIKeyGGNYJHMHKCUBQH-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.75
Rot. Bonds7

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

N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 5102222) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID5102222
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H21NO4/c1-4-24-16-9-5-14(6-10-16)7-12-19(21)20-15-8-11-17(22-2)18(13-15)23-3/h5-13H,4H2,1-3H3,(H,20,21)
InChIKeyGGNYJHMHKCUBQH-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-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 32519046
(E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9102469
tert-butyl N-[5-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2-methoxyphenyl]carbamate
CID 55674213
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2788614
(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 967235
(E)-3-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26364650
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 680257
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805674
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide (CID 5102222) is N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(C=CC(=O)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is GGNYJHMHKCUBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-24-16-9-5-14(6-10-16)7-12-19(21)20-15-8-11-17(22-2)18(13-15)23-3/h5-13H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
N-(3,4-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-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 5102222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).