[2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate

C17H22N2O3 — CID 9451057

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
SMILESCC(C)N(C(=O)COC(=O)c1cc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C17H22N2O3/c1-11(2)19(12(3)4)16(20)10-22-17(21)15-9-13-7-5-6-8-14(13)18-15/h5-9,11-12,18H,10H2,1-4H3
InChIKeyGASINHHIHBYJLI-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.97
Rot. Bonds5

About [2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate

[2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate (PubChem CID 9451057) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
PubChem CID9451057
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
SMILESCC(C)N(C(=O)COC(=O)c1cc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C17H22N2O3/c1-11(2)19(12(3)4)16(20)10-22-17(21)15-9-13-7-5-6-8-14(13)18-15/h5-9,11-12,18H,10H2,1-4H3
InChIKeyGASINHHIHBYJLI-UHFFFAOYSA-N
XLogP2.97
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 42918412
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
[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] 1H-indole-2-carboxylate
CID 18081770
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723461
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 28605400
[2-[di(propan-2-yl)amino]-2-oxoethyl] anthracene-9-carboxylate
CID 2511499
butyl 1H-indole-2-carboxylate
CID 54052397
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723665
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 1H-indole-2-carboxylate
CID 9485312
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7485849
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate
CID 7466205

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate (CID 9451057) is [2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate is CC(C)N(C(=O)COC(=O)c1cc2ccccc2[nH]1)C(C)C.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate?
The InChIKey is GASINHHIHBYJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11(2)19(12(3)4)16(20)10-22-17(21)15-9-13-7-5-6-8-14(13)18-15/h5-9,11-12,18H,10H2,1-4H3.
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate?
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate is sourced from PubChem (CID 9451057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).