N-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide

C21H23N3O2 — CID 134795564

IUPACN-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC3(C2)C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C21H23N3O2/c1-15(25)22-17-9-7-16(8-10-17)13-24-12-11-21(14-24)18-5-3-4-6-19(18)23(2)20(21)26/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyLLXHBPGQTUDWAF-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.77
Rot. Bonds3

About N-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide

N-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide (PubChem CID 134795564) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide
PubChem CID134795564
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC3(C2)C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C21H23N3O2/c1-15(25)22-17-9-7-16(8-10-17)13-24-12-11-21(14-24)18-5-3-4-6-19(18)23(2)20(21)26/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyLLXHBPGQTUDWAF-UHFFFAOYSA-N
XLogP2.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]acetamide
CID 95709226
(3R)-N-(4-ethoxyphenyl)-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104043
ethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate
CID 95710662
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177203
(3S)-N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104040
N-[4-[(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)methyl]phenyl]acetamide
CID 169138122
1-methyl-1'-[[2-(propylamino)pyrimidin-5-yl]methyl]spiro[indole-3,3'-piperidine]-2-one
CID 56885365
N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide
CID 95718613
methyl (3S)-1-[(4-acetamidophenyl)methyl]-3-methylpyrrolidine-3-carboxylate
CID 97160325
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177144

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide (CID 134795564) is N-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCC3(C2)C(=O)N(C)c2ccccc23)cc1.
What is the InChIKey of N-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide?
The InChIKey is LLXHBPGQTUDWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(25)22-17-9-7-16(8-10-17)13-24-12-11-21(14-24)18-5-3-4-6-19(18)23(2)20(21)26/h3-10H,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide?
N-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 134795564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).