3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide

C16H20N2O4 — CID 75450076

IUPAC3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NC2CNC(=O)C2)cc(OC)c1OC
InChIInChI=1S/C16H20N2O4/c1-4-5-10-6-11(7-13(21-2)15(10)22-3)16(20)18-12-8-14(19)17-9-12/h4,6-7,12H,1,5,8-9H2,2-3H3,(H,17,19)(H,18,20)
InChIKeyXZKVLCOTRJMVPI-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.05
Rot. Bonds6

About 3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide

3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide (PubChem CID 75450076) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide
PubChem CID75450076
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)NC2CNC(=O)C2)cc(OC)c1OC
InChIInChI=1S/C16H20N2O4/c1-4-5-10-6-11(7-13(21-2)15(10)22-3)16(20)18-12-8-14(19)17-9-12/h4,6-7,12H,1,5,8-9H2,2-3H3,(H,17,19)(H,18,20)
InChIKeyXZKVLCOTRJMVPI-UHFFFAOYSA-N
XLogP1.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide 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

N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 86911892
N-[1-(aminomethyl)cyclopentyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119567229
3,4-dimethoxy-5-prop-2-enyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43046830
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide
CID 155945725
N-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride
CID 119587638
3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide
CID 10313807
N-[2-(ethylamino)-2-oxoethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18145820
3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide
CID 55451236
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562615
N-(3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18276892

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide?
The IUPAC name of 3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide (CID 75450076) is 3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide?
The canonical SMILES for 3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide is C=CCc1cc(C(=O)NC2CNC(=O)C2)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide?
The InChIKey is XZKVLCOTRJMVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-4-5-10-6-11(7-13(21-2)15(10)22-3)16(20)18-12-8-14(19)17-9-12/h4,6-7,12H,1,5,8-9H2,2-3H3,(H,17,19)(H,18,20).
What are the key properties of 3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide?
3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide has a molecular weight of 304.35 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(5-oxopyrrolidin-3-yl)-5-prop-2-enylbenzamide is sourced from PubChem (CID 75450076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).