5-methoxy-2-oxo-N-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide

C21H23N3O3 — CID 53177112

IUPAC5-methoxy-2-oxo-N-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)NCCc3ccccc3)C1)C(=O)N2
InChIInChI=1S/C21H23N3O3/c1-27-16-7-8-18-17(13-16)21(19(25)23-18)10-12-24(14-21)20(26)22-11-9-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,22,26)(H,23,25)
InChIKeyAZQNUNVTQHIIMX-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.54
Rot. Bonds4

About 5-methoxy-2-oxo-N-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide

5-methoxy-2-oxo-N-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide (PubChem CID 53177112) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-methoxy-2-oxo-N-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name5-methoxy-2-oxo-N-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
PubChem CID53177112
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name5-methoxy-2-oxo-N-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)NCCc3ccccc3)C1)C(=O)N2
InChIInChI=1S/C21H23N3O3/c1-27-16-7-8-18-17(13-16)21(19(25)23-18)10-12-24(14-21)20(26)22-11-9-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,22,26)(H,23,25)
InChIKeyAZQNUNVTQHIIMX-UHFFFAOYSA-N
XLogP2.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-1'-[3-(4-methoxyphenyl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177050
5-methoxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177101
(3R)-5-methoxy-N-(2-methylphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103847
5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177042
(3S)-N-(2-fluorophenyl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103837
5-methoxy-1'-[2-(2-methylphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177054
(3S)-1'-(2-bromobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103735
2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177006
(3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 129369255
tert-butyl (3S)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706343
(3S)-1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103769
(3S)-5-methoxy-1'-(4-methylbenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103698

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-oxo-N-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of 5-methoxy-2-oxo-N-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide (CID 53177112) is 5-methoxy-2-oxo-N-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for 5-methoxy-2-oxo-N-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for 5-methoxy-2-oxo-N-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide is COc1ccc2c(c1)C1(CCN(C(=O)NCCc3ccccc3)C1)C(=O)N2.
What is the InChIKey of 5-methoxy-2-oxo-N-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is AZQNUNVTQHIIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-16-7-8-18-17(13-16)21(19(25)23-18)10-12-24(14-21)20(26)22-11-9-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 5-methoxy-2-oxo-N-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
5-methoxy-2-oxo-N-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-oxo-N-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 53177112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).