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

C24H28N4O5 — CID 67226873

IUPAC5-(2,2-dimethylpropyl)-N-(2-methoxy-4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C1CC2(CN1)C(=O)Nc1ccc(CC(C)(C)C)cc12
InChIInChI=1S/C24H28N4O5/c1-23(2,3)11-14-5-7-17-16(9-14)24(22(30)27-17)12-19(25-13-24)21(29)26-18-8-6-15(28(31)32)10-20(18)33-4/h5-10,19,25H,11-13H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyPEWPXZFVHUWWIL-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.38
Rot. Bonds5

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

5-(2,2-dimethylpropyl)-N-(2-methoxy-4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 67226873) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(2-methoxy-4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(2-methoxy-4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID67226873
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name5-(2,2-dimethylpropyl)-N-(2-methoxy-4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C1CC2(CN1)C(=O)Nc1ccc(CC(C)(C)C)cc12
InChIInChI=1S/C24H28N4O5/c1-23(2,3)11-14-5-7-17-16(9-14)24(22(30)27-17)12-19(25-13-24)21(29)26-18-8-6-15(28(31)32)10-20(18)33-4/h5-10,19,25H,11-13H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyPEWPXZFVHUWWIL-UHFFFAOYSA-N
XLogP3.38
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetyl-2-methoxyphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 172757933
N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 63007363
trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7409539
1-[(2-methoxy-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62881395
1-tert-butyl-N-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081161
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
4-methoxy-N-(2-methoxy-5-nitrophenyl)pyrrolidine-2-carboxamide
CID 61214015
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 108767439
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197
1-adamantylmethyl-[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]azanium
CID 8512236
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
N'-[1-(1-adamantyl)ethyl]-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108509013

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-(2-methoxy-4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(2-methoxy-4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 67226873) is 5-(2,2-dimethylpropyl)-N-(2-methoxy-4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(2-methoxy-4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(2-methoxy-4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is COc1cc([N+](=O)[O-])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-nitrophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is PEWPXZFVHUWWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-23(2,3)11-14-5-7-17-16(9-14)24(22(30)27-17)12-19(25-13-24)21(29)26-18-8-6-15(28(31)32)10-20(18)33-4/h5-10,19,25H,11-13H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(2-methoxy-4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
5-(2,2-dimethylpropyl)-N-(2-methoxy-4-nitrophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 3.38, 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-nitrophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 67226873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).