[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate

C18H23N3O4 — CID 4882710

IUPAC[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate
SMILESCCN(CC(=O)NC(C)C)C(=O)COC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H23N3O4/c1-4-21(10-16(22)19-12(2)3)17(23)11-25-18(24)15-9-13-7-5-6-8-14(13)20-15/h5-9,12,20H,4,10-11H2,1-3H3,(H,19,22)
InChIKeyZZTJXVLPZULKNN-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.70
Rot. Bonds7

About [2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate

[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate (PubChem CID 4882710) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is [2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate
PubChem CID4882710
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate
SMILESCCN(CC(=O)NC(C)C)C(=O)COC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H23N3O4/c1-4-21(10-16(22)19-12(2)3)17(23)11-25-18(24)15-9-13-7-5-6-8-14(13)20-15/h5-9,12,20H,4,10-11H2,1-3H3,(H,19,22)
InChIKeyZZTJXVLPZULKNN-UHFFFAOYSA-N
XLogP1.70
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 9451057
[2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate
CID 18081770
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 42918412
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723665
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate
CID 7466205
5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide
CID 134002575
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 28605400
[2-(cyclopentylamino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723573
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 2552428
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723461
N-ethyl-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 43421005

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate?
The IUPAC name of [2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate (CID 4882710) is [2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate.
What is the SMILES notation for [2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate?
The canonical SMILES for [2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate is CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of [2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate?
The InChIKey is ZZTJXVLPZULKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-4-21(10-16(22)19-12(2)3)17(23)11-25-18(24)15-9-13-7-5-6-8-14(13)20-15/h5-9,12,20H,4,10-11H2,1-3H3,(H,19,22).
What are the key properties of [2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate?
[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl] 1H-indole-2-carboxylate is sourced from PubChem (CID 4882710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).