5'-(2-methylpropyl)-2-oxo-N-phenylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide

C22H25N3O2 — CID 75950163

IUPAC5'-(2-methylpropyl)-2-oxo-N-phenylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
SMILESCC(C)CC1CC(C(=O)Nc2ccccc2)C2(N1)C(=O)Nc1ccccc12
InChIInChI=1S/C22H25N3O2/c1-14(2)12-16-13-18(20(26)23-15-8-4-3-5-9-15)22(25-16)17-10-6-7-11-19(17)24-21(22)27/h3-11,14,16,18,25H,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyDJEMZBJTEDYTBT-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.50
Rot. Bonds4

About 5'-(2-methylpropyl)-2-oxo-N-phenylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide

5'-(2-methylpropyl)-2-oxo-N-phenylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide (PubChem CID 75950163) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5'-(2-methylpropyl)-2-oxo-N-phenylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide.

Molecular Properties

Compound Name5'-(2-methylpropyl)-2-oxo-N-phenylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
PubChem CID75950163
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name5'-(2-methylpropyl)-2-oxo-N-phenylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
SMILESCC(C)CC1CC(C(=O)Nc2ccccc2)C2(N1)C(=O)Nc1ccccc12
InChIInChI=1S/C22H25N3O2/c1-14(2)12-16-13-18(20(26)23-15-8-4-3-5-9-15)22(25-16)17-10-6-7-11-19(17)24-21(22)27/h3-11,14,16,18,25H,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyDJEMZBJTEDYTBT-UHFFFAOYSA-N
XLogP3.50
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5'-(2-methylpropyl)-2-oxo-N-phenylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide?
The IUPAC name of 5'-(2-methylpropyl)-2-oxo-N-phenylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide (CID 75950163) is 5'-(2-methylpropyl)-2-oxo-N-phenylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide.
What is the SMILES notation for 5'-(2-methylpropyl)-2-oxo-N-phenylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide?
The canonical SMILES for 5'-(2-methylpropyl)-2-oxo-N-phenylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide is CC(C)CC1CC(C(=O)Nc2ccccc2)C2(N1)C(=O)Nc1ccccc12.
What is the InChIKey of 5'-(2-methylpropyl)-2-oxo-N-phenylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide?
The InChIKey is DJEMZBJTEDYTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14(2)12-16-13-18(20(26)23-15-8-4-3-5-9-15)22(25-16)17-10-6-7-11-19(17)24-21(22)27/h3-11,14,16,18,25H,12-13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 5'-(2-methylpropyl)-2-oxo-N-phenylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide?
5'-(2-methylpropyl)-2-oxo-N-phenylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(2-methylpropyl)-2-oxo-N-phenylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide is sourced from PubChem (CID 75950163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).