N-benzyl-N-ethyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide

C24H27N3O2 — CID 22553681

IUPACN-benzyl-N-ethyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC2CCCN2C12C(=O)Nc1ccccc12
InChIInChI=1S/C24H27N3O2/c1-2-26(16-17-9-4-3-5-10-17)22(28)20-15-18-11-8-14-27(18)24(20)19-12-6-7-13-21(19)25-23(24)29/h3-7,9-10,12-13,18,20H,2,8,11,14-16H2,1H3,(H,25,29)
InChIKeyUPUDLEFGJUKYTF-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.37
Rot. Bonds4

About N-benzyl-N-ethyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide

N-benzyl-N-ethyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide (PubChem CID 22553681) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
PubChem CID22553681
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-benzyl-N-ethyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC2CCCN2C12C(=O)Nc1ccccc12
InChIInChI=1S/C24H27N3O2/c1-2-26(16-17-9-4-3-5-10-17)22(28)20-15-18-11-8-14-27(18)24(20)19-12-6-7-13-21(19)25-23(24)29/h3-7,9-10,12-13,18,20H,2,8,11,14-16H2,1H3,(H,25,29)
InChIKeyUPUDLEFGJUKYTF-UHFFFAOYSA-N
XLogP3.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-ethyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide (CID 22553681) is N-benzyl-N-ethyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide is CCN(Cc1ccccc1)C(=O)C1CC2CCCN2C12C(=O)Nc1ccccc12.
What is the InChIKey of N-benzyl-N-ethyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
The InChIKey is UPUDLEFGJUKYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-2-26(16-17-9-4-3-5-10-17)22(28)20-15-18-11-8-14-27(18)24(20)19-12-6-7-13-21(19)25-23(24)29/h3-7,9-10,12-13,18,20H,2,8,11,14-16H2,1H3,(H,25,29).
What are the key properties of N-benzyl-N-ethyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
N-benzyl-N-ethyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide is sourced from PubChem (CID 22553681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).