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

C20H19N3O4 — CID 172708107

IUPACN-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESO=C(CO)c1ccc(NC(=O)C2CC3(CN2)C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C20H19N3O4/c24-10-17(25)12-5-7-13(8-6-12)22-18(26)16-9-20(11-21-16)14-3-1-2-4-15(14)23-19(20)27/h1-8,16,21,24H,9-11H2,(H,22,26)(H,23,27)
InChIKeyDWIPSICZORBHIF-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.05
Rot. Bonds4

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

N-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 172708107) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID172708107
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESO=C(CO)c1ccc(NC(=O)C2CC3(CN2)C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C20H19N3O4/c24-10-17(25)12-5-7-13(8-6-12)22-18(26)16-9-20(11-21-16)14-3-1-2-4-15(14)23-19(20)27/h1-8,16,21,24H,9-11H2,(H,22,26)(H,23,27)
InChIKeyDWIPSICZORBHIF-UHFFFAOYSA-N
XLogP1.05
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-N-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 123527468
N-[4-(3-amino-3-oxopropyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172710291
(2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide
CID 163846050
N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172757933
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
5-deuterio-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 175928748
5-(2,2-dimethylpropyl)-N-(2-methyl-6-oxo-1H-pyridin-4-yl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 67227597
N-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide
CID 1091973
N-(4-carbamoyl-2-ethoxyphenyl)-5'-oxospiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
CID 123293264
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of N-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 172708107) is N-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is O=C(CO)c1ccc(NC(=O)C2CC3(CN2)C(=O)Nc2ccccc23)cc1.
What is the InChIKey of N-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is DWIPSICZORBHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-10-17(25)12-5-7-13(8-6-12)22-18(26)16-9-20(11-21-16)14-3-1-2-4-15(14)23-19(20)27/h1-8,16,21,24H,9-11H2,(H,22,26)(H,23,27).
What are the key properties of N-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
N-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 1.05, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyacetyl)phenyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 172708107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).