2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-N-propan-2-yl-N-(2-propan-2-yloxyethyl)indolizine-7-carboxamide

C39H59N3O3 — CID 57334659

About 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-N-propan-2-yl-N-(2-propan-2-yloxyethyl)indolizine-7-carboxamide

2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-N-propan-2-yl-N-(2-propan-2-yloxyethyl)indolizine-7-carboxamide (PubChem CID 57334659) has the molecular formula C39H59N3O3 and a molecular weight of 617.92 g/mol. Its IUPAC name is 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-N-propan-2-yl-N-(2-propan-2-yloxyethyl)indolizine-7-carboxamide.

Molecular Properties

• Compound Name: 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-N-propan-2-yl-N-(2-propan-2-yloxyethyl)indolizine-7-carboxamide
• PubChem CID: 57334659
• Molecular Formula: C39H59N3O3
• Molecular Weight: 617.92 g/mol
• Exact Mass: 617.46
• IUPAC Name: 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-N-propan-2-yl-N-(2-propan-2-yloxyethyl)indolizine-7-carboxamide
• SMILES: CCCCc1cc2cc(C(=O)N(CCOC(C)C)C(C)C)ccn2c1C(=O)c1ccc(CCCN(CCCC)CCCC)cc1
• InChI: InChI=1S/C39H59N3O3/c1-8-11-16-34-28-36-29-35(39(44)41(30(4)5)26-27-45-31(6)7)21-25-42(36)37(34)38(43)33-19-17-32(18-20-33)15-14-24-40(22-12-9-2)23-13-10-3/h17-21,25,28-31H,8-16,22-24,26-27H2,1-7H3
• InChIKey: JQGLTHSOPZBCTA-UHFFFAOYSA-N
• XLogP: 8.62
• TPSA: 54.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 21
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.92
LogP ≤ 5	8.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-N-propan-2-yl-N-(2-propan-2-yloxyethyl)indolizine-7-carboxamide?

The IUPAC name of 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-N-propan-2-yl-N-(2-propan-2-yloxyethyl)indolizine-7-carboxamide (CID 57334659) is 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-N-propan-2-yl-N-(2-propan-2-yloxyethyl)indolizine-7-carboxamide.

What is the SMILES notation for 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-N-propan-2-yl-N-(2-propan-2-yloxyethyl)indolizine-7-carboxamide?

The canonical SMILES for 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-N-propan-2-yl-N-(2-propan-2-yloxyethyl)indolizine-7-carboxamide is CCCCc1cc2cc(C(=O)N(CCOC(C)C)C(C)C)ccn2c1C(=O)c1ccc(CCCN(CCCC)CCCC)cc1.

What is the InChIKey of 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-N-propan-2-yl-N-(2-propan-2-yloxyethyl)indolizine-7-carboxamide?

The InChIKey is JQGLTHSOPZBCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H59N3O3/c1-8-11-16-34-28-36-29-35(39(44)41(30(4)5)26-27-45-31(6)7)21-25-42(36)37(34)38(43)33-19-17-32(18-20-33)15-14-24-40(22-12-9-2)23-13-10-3/h17-21,25,28-31H,8-16,22-24,26-27H2,1-7H3.

What are the key properties of 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-N-propan-2-yl-N-(2-propan-2-yloxyethyl)indolizine-7-carboxamide?

2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-N-propan-2-yl-N-(2-propan-2-yloxyethyl)indolizine-7-carboxamide has a molecular weight of 617.92 g/mol, XLogP of 8.62, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-N-propan-2-yl-N-(2-propan-2-yloxyethyl)indolizine-7-carboxamide is sourced from PubChem (CID 57334659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).