3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide

C20H31NO3 — CID 719513

IUPAC3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)N(CC(C)C)CC(C)C)cc1OC
InChIInChI=1S/C20H31NO3/c1-7-24-18-10-8-17(12-19(18)23-6)9-11-20(22)21(13-15(2)3)14-16(4)5/h8-12,15-16H,7,13-14H2,1-6H3
InChIKeyGWQBTWYBJNEULK-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.25
Rot. Bonds9

About 3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide

3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide (PubChem CID 719513) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
PubChem CID719513
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)N(CC(C)C)CC(C)C)cc1OC
InChIInChI=1S/C20H31NO3/c1-7-24-18-10-8-17(12-19(18)23-6)9-11-20(22)21(13-15(2)3)14-16(4)5/h8-12,15-16H,7,13-14H2,1-6H3
InChIKeyGWQBTWYBJNEULK-UHFFFAOYSA-N
XLogP4.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 19166248
3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603194
N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 2789629
3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603198
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857517
(Z)-N,N-bis(2-cyanoethyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 97435242
N-benzyl-3-(4-ethoxy-3-methoxyphenyl)-N-methylprop-2-enamide
CID 719551
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide
CID 60592337
methyl 3-[3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl-(2-methylpropyl)amino]propanoate
CID 47093713
3-[4-(cyanomethoxy)-3-methoxyphenyl]-N,N-diethylprop-2-enamide
CID 75616904
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]prop-2-enamide
CID 35605636
(E)-N-(2-aminopropyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 82354203

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide (CID 719513) is 3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide is CCOc1ccc(C=CC(=O)N(CC(C)C)CC(C)C)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide?
The InChIKey is GWQBTWYBJNEULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-7-24-18-10-8-17(12-19(18)23-6)9-11-20(22)21(13-15(2)3)14-16(4)5/h8-12,15-16H,7,13-14H2,1-6H3.
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide?
3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide has a molecular weight of 333.47 g/mol, XLogP of 4.25, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide is sourced from PubChem (CID 719513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).