N-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide

C21H22N4O4 — CID 123293264

IUPACN-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCCOc1cc(C(N)=O)ccc1NC(=O)C1CC2(CNc3ccccc32)C(=O)N1
InChIInChI=1S/C21H22N4O4/c1-2-29-17-9-12(18(22)26)7-8-15(17)24-19(27)16-10-21(20(28)25-16)11-23-14-6-4-3-5-13(14)21/h3-9,16,23H,2,10-11H2,1H3,(H2,22,26)(H,24,27)(H,25,28)
InChIKeyOSLXCIDMWXMBAJ-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.37
Rot. Bonds5

About N-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide

N-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 123293264) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID123293264
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCCOc1cc(C(N)=O)ccc1NC(=O)C1CC2(CNc3ccccc32)C(=O)N1
InChIInChI=1S/C21H22N4O4/c1-2-29-17-9-12(18(22)26)7-8-15(17)24-19(27)16-10-21(20(28)25-16)11-23-14-6-4-3-5-13(14)21/h3-9,16,23H,2,10-11H2,1H3,(H2,22,26)(H,24,27)(H,25,28)
InChIKeyOSLXCIDMWXMBAJ-UHFFFAOYSA-N
XLogP1.37
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.37
H-Bond Donors ≤ 54
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
5'-oxo-N-phenylspiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
CID 141300537
N-[4-(dimethylcarbamoyl)phenyl]-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
CID 123762700
2-[(5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 123298132
N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172757933
N-(4-carbamoyl-2-methoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide
CID 67226809
N-[4-(2-bromoacetyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82258653
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
2-oxo-N-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 123527468
N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433395
(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 93360332
N-(2-ethoxy-4-methylphenyl)-4-methylpiperidine-2-carboxamide
CID 114423253

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of N-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide (CID 123293264) is N-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for N-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide is CCOc1cc(C(N)=O)ccc1NC(=O)C1CC2(CNc3ccccc32)C(=O)N1.
What is the InChIKey of N-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is OSLXCIDMWXMBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-2-29-17-9-12(18(22)26)7-8-15(17)24-19(27)16-10-21(20(28)25-16)11-23-14-6-4-3-5-13(14)21/h3-9,16,23H,2,10-11H2,1H3,(H2,22,26)(H,24,27)(H,25,28).
What are the key properties of N-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?
N-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 1.37, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 123293264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).