N-(3,5-dimethylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide

C23H25N3O2 — CID 22553712

IUPACN-(3,5-dimethylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CC3CCCN3C23C(=O)Nc2ccccc23)c1
InChIInChI=1S/C23H25N3O2/c1-14-10-15(2)12-16(11-14)24-21(27)19-13-17-6-5-9-26(17)23(19)18-7-3-4-8-20(18)25-22(23)28/h3-4,7-8,10-12,17,19H,5-6,9,13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyFSUAERVJKNYERQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.57
Rot. Bonds2

About N-(3,5-dimethylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide

N-(3,5-dimethylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide (PubChem CID 22553712) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
PubChem CID22553712
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(3,5-dimethylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CC3CCCN3C23C(=O)Nc2ccccc23)c1
InChIInChI=1S/C23H25N3O2/c1-14-10-15(2)12-16(11-14)24-21(27)19-13-17-6-5-9-26(17)23(19)18-7-3-4-8-20(18)25-22(23)28/h3-4,7-8,10-12,17,19H,5-6,9,13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyFSUAERVJKNYERQ-UHFFFAOYSA-N
XLogP3.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide (CID 22553712) is N-(3,5-dimethylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide is Cc1cc(C)cc(NC(=O)C2CC3CCCN3C23C(=O)Nc2ccccc23)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
The InChIKey is FSUAERVJKNYERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-14-10-15(2)12-16(11-14)24-21(27)19-13-17-6-5-9-26(17)23(19)18-7-3-4-8-20(18)25-22(23)28/h3-4,7-8,10-12,17,19H,5-6,9,13H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(3,5-dimethylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
N-(3,5-dimethylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide is sourced from PubChem (CID 22553712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).