N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C21H21N3O4 — CID 172757933

IUPACN-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCOc1cc(C(C)=O)ccc1NC(=O)C1CC2(CN1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H21N3O4/c1-12(25)13-7-8-16(18(9-13)28-2)23-19(26)17-10-21(11-22-17)14-5-3-4-6-15(14)24-20(21)27/h3-9,17,22H,10-11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyLHABBNGUFGHDGO-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.09
Rot. Bonds4

About N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 172757933) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID172757933
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCOc1cc(C(C)=O)ccc1NC(=O)C1CC2(CN1)C(=O)Nc1ccccc12
InChIInChI=1S/C21H21N3O4/c1-12(25)13-7-8-16(18(9-13)28-2)23-19(26)17-10-21(11-22-17)14-5-3-4-6-15(14)24-20(21)27/h3-9,17,22H,10-11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyLHABBNGUFGHDGO-UHFFFAOYSA-N
XLogP2.09
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172684257
2-oxo-N-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 123527468
N-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172708107
(2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide
CID 163846050
N-(4-carbamoyl-2-methoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide
CID 67226809
N-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
CID 123293264
5-(2,2-dimethylpropyl)-N-(2-methoxy-4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 67226873
N-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172710291
5-(2,2-dimethylpropyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 67228423
(3S)-N-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-piperidine]-1'-carboxamide
CID 95722580
(3R)-N-(3,4-dimethoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103649
5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 175928748

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 172757933) is N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is COc1cc(C(C)=O)ccc1NC(=O)C1CC2(CN1)C(=O)Nc1ccccc12.
What is the InChIKey of N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is LHABBNGUFGHDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-12(25)13-7-8-16(18(9-13)28-2)23-19(26)17-10-21(11-22-17)14-5-3-4-6-15(14)24-20(21)27/h3-9,17,22H,10-11H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 172757933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).