N-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C23H26N4O4 — CID 172684257

IUPACN-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCCCCOc1cc(C(N)=O)ccc1NC(=O)C1CC2(CN1)C(=O)Nc1ccccc12
InChIInChI=1S/C23H26N4O4/c1-2-3-10-31-19-11-14(20(24)28)8-9-17(19)26-21(29)18-12-23(13-25-18)15-6-4-5-7-16(15)27-22(23)30/h4-9,11,18,25H,2-3,10,12-13H2,1H3,(H2,24,28)(H,26,29)(H,27,30)
InChIKeyAUZSJBIMMPMROB-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.15
Rot. Bonds7

About N-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

N-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 172684257) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound NameN-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID172684257
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCCCCOc1cc(C(N)=O)ccc1NC(=O)C1CC2(CN1)C(=O)Nc1ccccc12
InChIInChI=1S/C23H26N4O4/c1-2-3-10-31-19-11-14(20(24)28)8-9-17(19)26-21(29)18-12-23(13-25-18)15-6-4-5-7-16(15)27-22(23)30/h4-9,11,18,25H,2-3,10,12-13H2,1H3,(H2,24,28)(H,26,29)(H,27,30)
InChIKeyAUZSJBIMMPMROB-UHFFFAOYSA-N
XLogP2.15
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of N-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 172684257) is N-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for N-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for N-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is CCCCOc1cc(C(N)=O)ccc1NC(=O)C1CC2(CN1)C(=O)Nc1ccccc12.
What is the InChIKey of N-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is AUZSJBIMMPMROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-2-3-10-31-19-11-14(20(24)28)8-9-17(19)26-21(29)18-12-23(13-25-18)15-6-4-5-7-16(15)27-22(23)30/h4-9,11,18,25H,2-3,10,12-13H2,1H3,(H2,24,28)(H,26,29)(H,27,30).
What are the key properties of N-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
N-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.15, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxy-4-carbamoylphenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 172684257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).