N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide

C20H30N2O3 — CID 131645127

IUPACN-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
SMILESCOCCNC(=O)C1CC2(CO1)CN(CCC(C)C)c1ccccc12
InChIInChI=1S/C20H30N2O3/c1-15(2)8-10-22-13-20(16-6-4-5-7-17(16)22)12-18(25-14-20)19(23)21-9-11-24-3/h4-7,15,18H,8-14H2,1-3H3,(H,21,23)
InChIKeyNIJZCFHMUDVGGV-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.34
Rot. Bonds7

About N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide

N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide (PubChem CID 131645127) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
PubChem CID131645127
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
SMILESCOCCNC(=O)C1CC2(CO1)CN(CCC(C)C)c1ccccc12
InChIInChI=1S/C20H30N2O3/c1-15(2)8-10-22-13-20(16-6-4-5-7-17(16)22)12-18(25-14-20)19(23)21-9-11-24-3/h4-7,15,18H,8-14H2,1-3H3,(H,21,23)
InChIKeyNIJZCFHMUDVGGV-UHFFFAOYSA-N
XLogP2.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2'S,3S)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 98781646
(2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 98781644
N-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 131640592
(2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
CID 97439490
1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 131643036
(2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 97440101
N-(2-methoxyethyl)-1'-[2-(methylamino)-2-oxoethyl]spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide
CID 134075858
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
1-(3-methylbutyl)-5-oxo-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
CID 46110084
1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 47006883
1-N-(2-methoxyethyl)-4-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146508
N-(2-methoxyethyl)-11-methyl-1,8,11-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8-tetraene-12-carboxamide
CID 16746095

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide (CID 131645127) is N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide is COCCNC(=O)C1CC2(CO1)CN(CCC(C)C)c1ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The InChIKey is NIJZCFHMUDVGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(2)8-10-22-13-20(16-6-4-5-7-17(16)22)12-18(25-14-20)19(23)21-9-11-24-3/h4-7,15,18H,8-14H2,1-3H3,(H,21,23).
What are the key properties of N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide is sourced from PubChem (CID 131645127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).