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

C24H27N3O2 — CID 22553763

IUPAC1'-methyl-N-[(4-methylphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CC3CCCN3C23C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C24H27N3O2/c1-16-9-11-17(12-10-16)15-25-22(28)20-14-18-6-5-13-27(18)24(20)19-7-3-4-8-21(19)26(2)23(24)29/h3-4,7-12,18,20H,5-6,13-15H2,1-2H3,(H,25,28)
InChIKeyRYBNBDJYTXNCCU-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.97
Rot. Bonds3

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

1'-methyl-N-[(4-methylphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide (PubChem CID 22553763) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1'-methyl-N-[(4-methylphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide.

Molecular Properties

Compound Name1'-methyl-N-[(4-methylphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
PubChem CID22553763
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1'-methyl-N-[(4-methylphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CC3CCCN3C23C(=O)N(C)c2ccccc23)cc1
InChIInChI=1S/C24H27N3O2/c1-16-9-11-17(12-10-16)15-25-22(28)20-14-18-6-5-13-27(18)24(20)19-7-3-4-8-21(19)26(2)23(24)29/h3-4,7-12,18,20H,5-6,13-15H2,1-2H3,(H,25,28)
InChIKeyRYBNBDJYTXNCCU-UHFFFAOYSA-N
XLogP2.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4639924
(1R,3S,4S)-N-[(1S)-1-cyano-2-[2-fluoro-4-(1-methyl-2-oxo-3H-indol-6-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
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N-methyl-1-(2-phenylacetyl)indoline-2-carboxamide
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1-[2-(4-Fluorophenyl)acetyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
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(11R,12S,16R,17S)-14-methyl-17-(4-methylphenyl)-1,9,14-triazatetracyclo[9.6.0.03,8.012,16]heptadeca-3,5,7-triene-2,10,13,15-tetrone
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(1S,2R,7S,8R)-2,10-diethyl-7-(4-methylphenyl)-4-phenyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone
CID 24790389

Frequently Asked Questions

What is the IUPAC name of 1'-methyl-N-[(4-methylphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The IUPAC name of 1'-methyl-N-[(4-methylphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide (CID 22553763) is 1'-methyl-N-[(4-methylphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide.
What is the SMILES notation for 1'-methyl-N-[(4-methylphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The canonical SMILES for 1'-methyl-N-[(4-methylphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide is Cc1ccc(CNC(=O)C2CC3CCCN3C23C(=O)N(C)c2ccccc23)cc1.
What is the InChIKey of 1'-methyl-N-[(4-methylphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The InChIKey is RYBNBDJYTXNCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16-9-11-17(12-10-16)15-25-22(28)20-14-18-6-5-13-27(18)24(20)19-7-3-4-8-21(19)26(2)23(24)29/h3-4,7-12,18,20H,5-6,13-15H2,1-2H3,(H,25,28).
What are the key properties of 1'-methyl-N-[(4-methylphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
1'-methyl-N-[(4-methylphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-N-[(4-methylphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide is sourced from PubChem (CID 22553763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).