(2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C26H38ClN3O2 — CID 59385560

IUPAC(2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1CC1CCCCC1
InChIInChI=1S/C26H38ClN3O2/c1-25(2,3)15-21-26(18-12-11-17(27)14-20(18)28-24(26)32)19(13-16-9-7-6-8-10-16)22(29-21)23(31)30(4)5/h11-12,14,16,19,21-22,29H,6-10,13,15H2,1-5H3,(H,28,32)/t19-,21+,22+,26+/m0/s1
InChIKeyPGOARLDPERIBOW-BLJFENDVSA-N
MW460.06 g/mol
LogP4.98
Rot. Bonds4

About (2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

(2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 59385560) has the molecular formula C26H38ClN3O2 and a molecular weight of 460.06 g/mol. Its IUPAC name is (2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound Name(2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID59385560
Molecular FormulaC26H38ClN3O2
Molecular Weight460.06 g/mol
Exact Mass459.27
IUPAC Name(2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1CC1CCCCC1
InChIInChI=1S/C26H38ClN3O2/c1-25(2,3)15-21-26(18-12-11-17(27)14-20(18)28-24(26)32)19(13-16-9-7-6-8-10-16)22(29-21)23(31)30(4)5/h11-12,14,16,19,21-22,29H,6-10,13,15H2,1-5H3,(H,28,32)/t19-,21+,22+,26+/m0/s1
InChIKeyPGOARLDPERIBOW-BLJFENDVSA-N
XLogP4.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.06
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide with MolForge

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Related Compounds

6-chloro-3'-(4-chlorophenyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 67287374
(2'R,3S,3'R,5'R)-6-chloro-3'-cyclopentyl-5'-(2,2-dimethylpropyl)-N-methyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;sulfane
CID 169428011
6-chloro-3'-(4-chlorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid
CID 66632915
(2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;2,2,2-trifluoroacetic acid
CID 71722774
(2'R,3S,3'S,5'R)-6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(2-cyclohexylethyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 59385503
(2'R,3S,3'R,5'R)-3'-benzyl-6-chloro-5'-(2,2-dimethylpropyl)-N-(4-hydroxycyclohexyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 90079162
6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid
CID 66625042
6-chloro-5'-(2,2-dimethylpropyl)-3'-(3-iodophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid
CID 66632730
6-chloro-5'-(2,2-dimethylpropyl)-2-oxo-3'-thiophen-2-ylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylic acid
CID 66633081
6-chloro-N,N-dimethyl-5'-(2-methylpropyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 67287356
tert-butyl (2'R,3R,3'S,5'S)-6-chloro-3'-(3-chlorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 66625211
(2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-5'-[2-(4-methylcyclohexyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 58254168

Frequently Asked Questions

What is the IUPAC name of (2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of (2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 59385560) is (2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for (2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for (2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1CC1CCCCC1.
What is the InChIKey of (2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is PGOARLDPERIBOW-BLJFENDVSA-N. The full InChI is InChI=1S/C26H38ClN3O2/c1-25(2,3)15-21-26(18-12-11-17(27)14-20(18)28-24(26)32)19(13-16-9-7-6-8-10-16)22(29-21)23(31)30(4)5/h11-12,14,16,19,21-22,29H,6-10,13,15H2,1-5H3,(H,28,32)/t19-,21+,22+,26+/m0/s1.
What are the key properties of (2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
(2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 460.06 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S,3'R,5'R)-6-chloro-3'-(cyclohexylmethyl)-5'-(2,2-dimethylpropyl)-N,N-dimethyl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 59385560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).