[2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate

C16H20N2O3 — CID 18081770

IUPAC[2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate
SMILESCCCC(C)NC(=O)COC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H20N2O3/c1-3-6-11(2)17-15(19)10-21-16(20)14-9-12-7-4-5-8-13(12)18-14/h4-5,7-9,11,18H,3,6,10H2,1-2H3,(H,17,19)
InChIKeyUKYNMNXEJUIPEJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.63
Rot. Bonds6

About [2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate

[2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate (PubChem CID 18081770) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is [2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate
PubChem CID18081770
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name[2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate
SMILESCCCC(C)NC(=O)COC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H20N2O3/c1-3-6-11(2)17-15(19)10-21-16(20)14-9-12-7-4-5-8-13(12)18-14/h4-5,7-9,11,18H,3,6,10H2,1-2H3,(H,17,19)
InChIKeyUKYNMNXEJUIPEJ-UHFFFAOYSA-N
XLogP2.63
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] anthracene-9-carboxylate
CID 2630406
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 9451057
[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 4882710
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-methyl-1H-indole-3-carboxylate
CID 18098798
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate
CID 7466205
butyl 1H-indole-2-carboxylate
CID 54052397
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7713498
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 42918412
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7508192
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate
CID 18073982
[2-oxo-2-(pentan-2-ylamino)ethyl] 1-hydroxynaphthalene-2-carboxylate
CID 18081778

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate?
The IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate (CID 18081770) is [2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate?
The canonical SMILES for [2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate is CCCC(C)NC(=O)COC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of [2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate?
The InChIKey is UKYNMNXEJUIPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-6-11(2)17-15(19)10-21-16(20)14-9-12-7-4-5-8-13(12)18-14/h4-5,7-9,11,18H,3,6,10H2,1-2H3,(H,17,19).
What are the key properties of [2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate?
[2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate is sourced from PubChem (CID 18081770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).