2,2,3,3-tetramethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide

C23H35N3O — CID 25264792

About 2,2,3,3-tetramethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide

2,2,3,3-tetramethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide (PubChem CID 25264792) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2,2,3,3-tetramethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide
• PubChem CID: 25264792
• Molecular Formula: C23H35N3O
• Molecular Weight: 369.55 g/mol
• Exact Mass: 369.28
• IUPAC Name: 2,2,3,3-tetramethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide
• SMILES: CC1CCCN1C1CCN(c2ccc(NC(=O)C3C(C)(C)C3(C)C)cc2)C1
• InChI: InChI=1S/C23H35N3O/c1-16-7-6-13-26(16)19-12-14-25(15-19)18-10-8-17(9-11-18)24-21(27)20-22(2,3)23(20,4)5/h8-11,16,19-20H,6-7,12-15H2,1-5H3,(H,24,27)
• InChIKey: ZETKRQDDYKMOPO-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.55
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide?

The IUPAC name of 2,2,3,3-tetramethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide (CID 25264792) is 2,2,3,3-tetramethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2,2,3,3-tetramethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for 2,2,3,3-tetramethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide is CC1CCCN1C1CCN(c2ccc(NC(=O)C3C(C)(C)C3(C)C)cc2)C1.

What is the InChIKey of 2,2,3,3-tetramethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide?

The InChIKey is ZETKRQDDYKMOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c1-16-7-6-13-26(16)19-12-14-25(15-19)18-10-8-17(9-11-18)24-21(27)20-22(2,3)23(20,4)5/h8-11,16,19-20H,6-7,12-15H2,1-5H3,(H,24,27).

What are the key properties of 2,2,3,3-tetramethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide?

2,2,3,3-tetramethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 369.55 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3,3-tetramethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 25264792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).