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

C24H27N3O3 — CID 22553733

IUPACN-[(2-ethoxyphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CC2CCCN2C12C(=O)Nc1ccccc12
InChIInChI=1S/C24H27N3O3/c1-2-30-21-12-6-3-8-16(21)15-25-22(28)19-14-17-9-7-13-27(17)24(19)18-10-4-5-11-20(18)26-23(24)29/h3-6,8,10-12,17,19H,2,7,9,13-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyMHTIVOIELGPPNB-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.03
Rot. Bonds5

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

N-[(2-ethoxyphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide (PubChem CID 22553733) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
PubChem CID22553733
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CC2CCCN2C12C(=O)Nc1ccccc12
InChIInChI=1S/C24H27N3O3/c1-2-30-21-12-6-3-8-16(21)15-25-22(28)19-14-17-9-7-13-27(17)24(19)18-10-4-5-11-20(18)26-23(24)29/h3-6,8,10-12,17,19H,2,7,9,13-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyMHTIVOIELGPPNB-UHFFFAOYSA-N
XLogP3.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide (CID 22553733) is N-[(2-ethoxyphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide is CCOc1ccccc1CNC(=O)C1CC2CCCN2C12C(=O)Nc1ccccc12.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
The InChIKey is MHTIVOIELGPPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-2-30-21-12-6-3-8-16(21)15-25-22(28)19-14-17-9-7-13-27(17)24(19)18-10-4-5-11-20(18)26-23(24)29/h3-6,8,10-12,17,19H,2,7,9,13-15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
N-[(2-ethoxyphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide is sourced from PubChem (CID 22553733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).