1'-(2-methoxyethyl)-1-methyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide

C24H31N3O3 — CID 134806758

IUPAC1'-(2-methoxyethyl)-1-methyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
SMILESCOCCN1CCC2(C1)CN(C)c1ccc(C(=O)NCCOc3ccccc3)cc12
InChIInChI=1S/C24H31N3O3/c1-26-17-24(10-12-27(18-24)13-15-29-2)21-16-19(8-9-22(21)26)23(28)25-11-14-30-20-6-4-3-5-7-20/h3-9,16H,10-15,17-18H2,1-2H3,(H,25,28)
InChIKeyKVWRLIHIFJWDOL-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.54
Rot. Bonds8

About 1'-(2-methoxyethyl)-1-methyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide

1'-(2-methoxyethyl)-1-methyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide (PubChem CID 134806758) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1'-(2-methoxyethyl)-1-methyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide.

Molecular Properties

Compound Name1'-(2-methoxyethyl)-1-methyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
PubChem CID134806758
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1'-(2-methoxyethyl)-1-methyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
SMILESCOCCN1CCC2(C1)CN(C)c1ccc(C(=O)NCCOc3ccccc3)cc12
InChIInChI=1S/C24H31N3O3/c1-26-17-24(10-12-27(18-24)13-15-29-2)21-16-19(8-9-22(21)26)23(28)25-11-14-30-20-6-4-3-5-7-20/h3-9,16H,10-15,17-18H2,1-2H3,(H,25,28)
InChIKeyKVWRLIHIFJWDOL-UHFFFAOYSA-N
XLogP2.54
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1'-dimethyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
CID 134805058
1'-(2-methoxyethyl)-1-methyl-N-phenylspiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide
CID 134808150
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
2-(2-methoxyacetyl)-N-(2-phenoxyethyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxamide
CID 155995270
1,1'-dimethyl-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
CID 134806768
3-ethoxy-N-(2-methoxyethyl)-4-(2-phenoxyethoxy)benzamide
CID 35810602
N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 99969655
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
3-methoxy-N-[2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111005192

Frequently Asked Questions

What is the IUPAC name of 1'-(2-methoxyethyl)-1-methyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
The IUPAC name of 1'-(2-methoxyethyl)-1-methyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide (CID 134806758) is 1'-(2-methoxyethyl)-1-methyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide.
What is the SMILES notation for 1'-(2-methoxyethyl)-1-methyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
The canonical SMILES for 1'-(2-methoxyethyl)-1-methyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide is COCCN1CCC2(C1)CN(C)c1ccc(C(=O)NCCOc3ccccc3)cc12.
What is the InChIKey of 1'-(2-methoxyethyl)-1-methyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
The InChIKey is KVWRLIHIFJWDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-26-17-24(10-12-27(18-24)13-15-29-2)21-16-19(8-9-22(21)26)23(28)25-11-14-30-20-6-4-3-5-7-20/h3-9,16H,10-15,17-18H2,1-2H3,(H,25,28).
What are the key properties of 1'-(2-methoxyethyl)-1-methyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide?
1'-(2-methoxyethyl)-1-methyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methoxyethyl)-1-methyl-N-(2-phenoxyethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-carboxamide is sourced from PubChem (CID 134806758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).