N-(4-acetylphenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide

C24H25N3O3 — CID 22553744

IUPACN-(4-acetylphenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC3CCCN3C23C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C24H25N3O3/c1-15(28)16-9-11-17(12-10-16)25-22(29)20-14-18-6-5-13-27(18)24(20)19-7-3-4-8-21(19)26(2)23(24)30/h3-4,7-12,18,20H,5-6,13-14H2,1-2H3,(H,25,29)
InChIKeyDRDWZWPEMFPULX-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.18
Rot. Bonds3

About N-(4-acetylphenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide

N-(4-acetylphenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide (PubChem CID 22553744) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
PubChem CID22553744
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-(4-acetylphenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC3CCCN3C23C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C24H25N3O3/c1-15(28)16-9-11-17(12-10-16)25-22(29)20-14-18-6-5-13-27(18)24(20)19-7-3-4-8-21(19)26(2)23(24)30/h3-4,7-12,18,20H,5-6,13-14H2,1-2H3,(H,25,29)
InChIKeyDRDWZWPEMFPULX-UHFFFAOYSA-N
XLogP3.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide (CID 22553744) is N-(4-acetylphenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide is CC(=O)c1ccc(NC(=O)C2CC3CCCN3C23C(=O)N(C)c2ccccc23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The InChIKey is DRDWZWPEMFPULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-15(28)16-9-11-17(12-10-16)25-22(29)20-14-18-6-5-13-27(18)24(20)19-7-3-4-8-21(19)26(2)23(24)30/h3-4,7-12,18,20H,5-6,13-14H2,1-2H3,(H,25,29).
What are the key properties of N-(4-acetylphenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
N-(4-acetylphenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide is sourced from PubChem (CID 22553744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).