N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide

C24H27N3O3 — CID 157015540

IUPACN-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide
SMILESCC(C)CN1C(=O)C2(CCN(C(=O)CNC(=O)c3ccccc3)C2)c2ccccc21
InChIInChI=1S/C24H27N3O3/c1-17(2)15-27-20-11-7-6-10-19(20)24(23(27)30)12-13-26(16-24)21(28)14-25-22(29)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,25,29)
InChIKeyMTKGRLZOBYWTGQ-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.59
Rot. Bonds5

About N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide

N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide (PubChem CID 157015540) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide
PubChem CID157015540
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide
SMILESCC(C)CN1C(=O)C2(CCN(C(=O)CNC(=O)c3ccccc3)C2)c2ccccc21
InChIInChI=1S/C24H27N3O3/c1-17(2)15-27-20-11-7-6-10-19(20)24(23(27)30)12-13-26(16-24)21(28)14-25-22(29)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,25,29)
InChIKeyMTKGRLZOBYWTGQ-UHFFFAOYSA-N
XLogP2.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1'-[(1R,2R)-2-methylcyclopropanecarbonyl]-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 124825124
1'-(cyclopropylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
CID 155833256
methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 134795039
1'-(furan-3-ylmethyl)-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
CID 118743280
N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide
CID 90618254
1-(2-methylpropyl)-1'-(oxan-4-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
CID 118744920
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 157017676
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
1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177144
1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 157018992

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide (CID 157015540) is N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide is CC(C)CN1C(=O)C2(CCN(C(=O)CNC(=O)c3ccccc3)C2)c2ccccc21.
What is the InChIKey of N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide?
The InChIKey is MTKGRLZOBYWTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17(2)15-27-20-11-7-6-10-19(20)24(23(27)30)12-13-26(16-24)21(28)14-25-22(29)18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3,(H,25,29).
What are the key properties of N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide?
N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 157015540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).