[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate

C20H26N2O3 — CID 27571304

IUPAC[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate
SMILESCn1cc(C(=O)OCC(=O)NC2CCCCCCC2)c2ccccc21
InChIInChI=1S/C20H26N2O3/c1-22-13-17(16-11-7-8-12-18(16)22)20(24)25-14-19(23)21-15-9-5-3-2-4-6-10-15/h7-8,11-13,15H,2-6,9-10,14H2,1H3,(H,21,23)
InChIKeyYHFACHYAJLIAGX-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.56
Rot. Bonds4

About [2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate

[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate (PubChem CID 27571304) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is [2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate
PubChem CID27571304
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate
SMILESCn1cc(C(=O)OCC(=O)NC2CCCCCCC2)c2ccccc21
InChIInChI=1S/C20H26N2O3/c1-22-13-17(16-11-7-8-12-18(16)22)20(24)25-14-19(23)21-15-9-5-3-2-4-6-10-15/h7-8,11-13,15H,2-6,9-10,14H2,1H3,(H,21,23)
InChIKeyYHFACHYAJLIAGX-UHFFFAOYSA-N
XLogP3.56
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8817230
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate
CID 645611
methyl 1-[2-(cycloheptylamino)-2-oxoethyl]indole-3-carboxylate
CID 848129
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3977392
[2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816197
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2435041
[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671223
2-cyclopentyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]acetamide
CID 126792582
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide
CID 49055281
[2-(cyclohexylamino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503827

Frequently Asked Questions

What is the IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate?
The IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate (CID 27571304) is [2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate.
What is the SMILES notation for [2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate?
The canonical SMILES for [2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate is Cn1cc(C(=O)OCC(=O)NC2CCCCCCC2)c2ccccc21.
What is the InChIKey of [2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate?
The InChIKey is YHFACHYAJLIAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-22-13-17(16-11-7-8-12-18(16)22)20(24)25-14-19(23)21-15-9-5-3-2-4-6-10-15/h7-8,11-13,15H,2-6,9-10,14H2,1H3,(H,21,23).
What are the key properties of [2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate?
[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate is sourced from PubChem (CID 27571304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).