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

C25H30N4O4 — CID 67226809

IUPACN-(4-carbamoyl-2-methoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCOc1cc(C(N)=O)ccc1NC(=O)C1CC2(CN1)C(=O)N(CC(C)(C)C)c1ccccc12
InChIInChI=1S/C25H30N4O4/c1-24(2,3)14-29-19-8-6-5-7-16(19)25(23(29)32)12-18(27-13-25)22(31)28-17-10-9-15(21(26)30)11-20(17)33-4/h5-11,18,27H,12-14H2,1-4H3,(H2,26,30)(H,28,31)
InChIKeyWTKYYPAXPCZHBR-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.43
Rot. Bonds5

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

N-(4-carbamoyl-2-methoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 67226809) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(4-carbamoyl-2-methoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-2-methoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID67226809
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-(4-carbamoyl-2-methoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCOc1cc(C(N)=O)ccc1NC(=O)C1CC2(CN1)C(=O)N(CC(C)(C)C)c1ccccc12
InChIInChI=1S/C25H30N4O4/c1-24(2,3)14-29-19-8-6-5-7-16(19)25(23(29)32)12-18(27-13-25)22(31)28-17-10-9-15(21(26)30)11-20(17)33-4/h5-11,18,27H,12-14H2,1-4H3,(H2,26,30)(H,28,31)
InChIKeyWTKYYPAXPCZHBR-UHFFFAOYSA-N
XLogP2.43
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-2-methoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of N-(4-carbamoyl-2-methoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide (CID 67226809) is N-(4-carbamoyl-2-methoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-2-methoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for N-(4-carbamoyl-2-methoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide is COc1cc(C(N)=O)ccc1NC(=O)C1CC2(CN1)C(=O)N(CC(C)(C)C)c1ccccc12.
What is the InChIKey of N-(4-carbamoyl-2-methoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is WTKYYPAXPCZHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-24(2,3)14-29-19-8-6-5-7-16(19)25(23(29)32)12-18(27-13-25)22(31)28-17-10-9-15(21(26)30)11-20(17)33-4/h5-11,18,27H,12-14H2,1-4H3,(H2,26,30)(H,28,31).
What are the key properties of N-(4-carbamoyl-2-methoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide?
N-(4-carbamoyl-2-methoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-2-methoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxospiro[indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 67226809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).