[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methylpropanoate

C15H19NO3 — CID 2485331

IUPAC[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO3/c1-10(2)15(18)19-9-14(17)16-13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyGETCHSMALPHSDL-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.31
Rot. Bonds4

About [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methylpropanoate

[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methylpropanoate (PubChem CID 2485331) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methylpropanoate
PubChem CID2485331
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO3/c1-10(2)15(18)19-9-14(17)16-13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyGETCHSMALPHSDL-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[N-(2-methylphenyl)carbamoyl]methyl acetate
CID 716417
Oxanilic acid, 4-methyl-, ethyl ester
CID 140391
N-(2,3-Dihydro-1H-inden-5-yl)acetamide
CID 583823
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] 2-cyclopentylacetate
CID 2343268
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4348741
N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylpropanamide
CID 771697
N-(4-butylphenyl)-2-ethoxyacetamide
CID 2162873
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] pentanoate
CID 2458262
[2-(4-Ethylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2352281
[2-(4-Tert-butylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2356189
[2-(2,3-Dimethylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2445981
[2-(4-Butan-2-ylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 4626485

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methylpropanoate?
The IUPAC name of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methylpropanoate (CID 2485331) is [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methylpropanoate.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methylpropanoate?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methylpropanoate is CC(C)C(=O)OCC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methylpropanoate?
The InChIKey is GETCHSMALPHSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(2)15(18)19-9-14(17)16-13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3,(H,16,17).
What are the key properties of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methylpropanoate?
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methylpropanoate has a molecular weight of 261.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methylpropanoate is sourced from PubChem (CID 2485331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).