2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide

C21H28N2O2 — CID 24560192

About 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide

2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 24560192) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
• PubChem CID: 24560192
• Molecular Formula: C21H28N2O2
• Molecular Weight: 340.47 g/mol
• Exact Mass: 340.22
• IUPAC Name: 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
• SMILES: CC(C)=CC1C(C(=O)NCc2ccc(N3CCCC3=O)cc2)C1(C)C
• InChI: InChI=1S/C21H28N2O2/c1-14(2)12-17-19(21(17,3)4)20(25)22-13-15-7-9-16(10-8-15)23-11-5-6-18(23)24/h7-10,12,17,19H,5-6,11,13H2,1-4H3,(H,22,25)
• InChIKey: UTGAUQZJMUBEQY-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.47
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide?

The IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide (CID 24560192) is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide?

The canonical SMILES for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)NCc2ccc(N3CCCC3=O)cc2)C1(C)C.

What is the InChIKey of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide?

The InChIKey is UTGAUQZJMUBEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-14(2)12-17-19(21(17,3)4)20(25)22-13-15-7-9-16(10-8-15)23-11-5-6-18(23)24/h7-10,12,17,19H,5-6,11,13H2,1-4H3,(H,22,25).

What are the key properties of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide?

2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 24560192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).