5-(2,2-dimethylpropyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C28H36N4O4 — CID 67228423

IUPAC5-(2,2-dimethylpropyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCOc1cc(N2CCOCC2)ccc1NC(=O)C1CC2(CN1)C(=O)Nc1ccc(CC(C)(C)C)cc12
InChIInChI=1S/C28H36N4O4/c1-27(2,3)15-18-5-7-21-20(13-18)28(26(34)31-21)16-23(29-17-28)25(33)30-22-8-6-19(14-24(22)35-4)32-9-11-36-12-10-32/h5-8,13-14,23,29H,9-12,15-17H2,1-4H3,(H,30,33)(H,31,34)
InChIKeyKSWQIBLFUNPLAD-UHFFFAOYSA-N
MW492.62 g/mol
LogP3.31
Rot. Bonds5

About 5-(2,2-dimethylpropyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

5-(2,2-dimethylpropyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 67228423) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID67228423
Molecular FormulaC28H36N4O4
Molecular Weight492.62 g/mol
Exact Mass492.27
IUPAC Name5-(2,2-dimethylpropyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCOc1cc(N2CCOCC2)ccc1NC(=O)C1CC2(CN1)C(=O)Nc1ccc(CC(C)(C)C)cc12
InChIInChI=1S/C28H36N4O4/c1-27(2,3)15-18-5-7-21-20(13-18)28(26(34)31-21)16-23(29-17-28)25(33)30-22-8-6-19(14-24(22)35-4)32-9-11-36-12-10-32/h5-8,13-14,23,29H,9-12,15-17H2,1-4H3,(H,30,33)(H,31,34)
InChIKeyKSWQIBLFUNPLAD-UHFFFAOYSA-N
XLogP3.31
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 112761839
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110427902
N'-(2,4-dimethoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892164
N-(2,4-dimorpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4850126
N-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline
CID 172536023
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739
3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117417021
2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide
CID 110359745
N'-(2,5-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891638
2-methoxy-N-(2-methoxy-4-pyrrolidin-1-ylphenyl)acetamide
CID 168512322

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 67228423) is 5-(2,2-dimethylpropyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is COc1cc(N2CCOCC2)ccc1NC(=O)C1CC2(CN1)C(=O)Nc1ccc(CC(C)(C)C)cc12.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is KSWQIBLFUNPLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-27(2,3)15-18-5-7-21-20(13-18)28(26(34)31-21)16-23(29-17-28)25(33)30-22-8-6-19(14-24(22)35-4)32-9-11-36-12-10-32/h5-8,13-14,23,29H,9-12,15-17H2,1-4H3,(H,30,33)(H,31,34).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
5-(2,2-dimethylpropyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 67228423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).