3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide

C23H29NO4 — CID 72689490

IUPAC3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide
SMILESCCN(C(=O)C=Cc1ccc(OC)cc1OC)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C23H29NO4/c1-6-24(17(2)15-18-7-11-20(26-3)12-8-18)23(25)14-10-19-9-13-21(27-4)16-22(19)28-5/h7-14,16-17H,6,15H2,1-5H3
InChIKeyQXUWUFAKRZXLPM-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.21
Rot. Bonds9

About 3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide

3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide (PubChem CID 72689490) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide
PubChem CID72689490
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide
SMILESCCN(C(=O)C=Cc1ccc(OC)cc1OC)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C23H29NO4/c1-6-24(17(2)15-18-7-11-20(26-3)12-8-18)23(25)14-10-19-9-13-21(27-4)16-22(19)28-5/h7-14,16-17H,6,15H2,1-5H3
InChIKeyQXUWUFAKRZXLPM-UHFFFAOYSA-N
XLogP4.21
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 72689503
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 34984603
N-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 3598582
(E)-N,N-bis(2-chloroethyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 11012991
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
(E)-N-(2-cyanoethyl)-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 134015026
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 9482673
3-[[3-(2,4-dimethoxyphenyl)prop-2-enoyl-methylamino]methyl]benzamide
CID 55920663
(E)-4-(2,4-dimethoxyphenyl)-2-oxobut-3-enoic acid
CID 82159207
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide
CID 2533542
2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 102534632
1-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one
CID 175699870

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide (CID 72689490) is 3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide is CCN(C(=O)C=Cc1ccc(OC)cc1OC)C(C)Cc1ccc(OC)cc1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide?
The InChIKey is QXUWUFAKRZXLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-6-24(17(2)15-18-7-11-20(26-3)12-8-18)23(25)14-10-19-9-13-21(27-4)16-22(19)28-5/h7-14,16-17H,6,15H2,1-5H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide?
3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide has a molecular weight of 383.49 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 72689490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).