[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate

C20H25NO5 — CID 55306661

IUPAC[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
SMILESC=CCN(CC=C)C(=O)COC(=O)CCC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C20H25NO5/c1-4-13-21(14-5-2)19(23)15-26-20(24)12-11-18(22)16-7-9-17(10-8-16)25-6-3/h4-5,7-10H,1-2,6,11-15H2,3H3
InChIKeyOZWZYVAJMMFULA-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.79
Rot. Bonds12

About [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate

[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate (PubChem CID 55306661) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
PubChem CID55306661
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
SMILESC=CCN(CC=C)C(=O)COC(=O)CCC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C20H25NO5/c1-4-13-21(14-5-2)19(23)15-26-20(24)12-11-18(22)16-7-9-17(10-8-16)25-6-3/h4-5,7-10H,1-2,6,11-15H2,3H3
InChIKeyOZWZYVAJMMFULA-UHFFFAOYSA-N
XLogP2.79
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate 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

4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid
CID 43214193
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 2883131
ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate
CID 24727563
[2-(4-methoxyanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133149
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750963
[2-(4-fluoroanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133158
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
[2-(3-nitrophenyl)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 2287436
[2-(1-adamantylamino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133135
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 27957877
butyl 4-oxo-4-(4-propoxyphenyl)butanoate
CID 60731121
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944

Frequently Asked Questions

What is the IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate?
The IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate (CID 55306661) is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate.
What is the SMILES notation for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate?
The canonical SMILES for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate is C=CCN(CC=C)C(=O)COC(=O)CCC(=O)c1ccc(OCC)cc1.
What is the InChIKey of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate?
The InChIKey is OZWZYVAJMMFULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-4-13-21(14-5-2)19(23)15-26-20(24)12-11-18(22)16-7-9-17(10-8-16)25-6-3/h4-5,7-10H,1-2,6,11-15H2,3H3.
What are the key properties of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate?
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate has a molecular weight of 359.42 g/mol, XLogP of 2.79, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate is sourced from PubChem (CID 55306661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).