[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate

C17H19N3O4 — CID 18099018

IUPAC[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate
SMILESCCn1cc(C(=O)OC(C)C(=O)N2CCNC2=O)c2ccccc21
InChIInChI=1S/C17H19N3O4/c1-3-19-10-13(12-6-4-5-7-14(12)19)16(22)24-11(2)15(21)20-9-8-18-17(20)23/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,23)
InChIKeyRGTSEJDPJBHBCB-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.76
Rot. Bonds4

About [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate (PubChem CID 18099018) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate
PubChem CID18099018
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate
SMILESCCn1cc(C(=O)OC(C)C(=O)N2CCNC2=O)c2ccccc21
InChIInChI=1S/C17H19N3O4/c1-3-19-10-13(12-6-4-5-7-14(12)19)16(22)24-11(2)15(21)20-9-8-18-17(20)23/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,23)
InChIKeyRGTSEJDPJBHBCB-UHFFFAOYSA-N
XLogP1.76
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate
CID 8976431
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate
CID 18091914
[1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate
CID 46640535
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate
CID 24520194
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 18091092
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate
CID 24531317
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 41078521
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 17396566
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate
CID 9384054
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate
CID 9384055
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(3-methyl-2-oxobenzimidazol-1-yl)acetate
CID 47018319
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate
CID 24520183

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate?
The IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate (CID 18099018) is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate.
What is the SMILES notation for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate?
The canonical SMILES for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate is CCn1cc(C(=O)OC(C)C(=O)N2CCNC2=O)c2ccccc21.
What is the InChIKey of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate?
The InChIKey is RGTSEJDPJBHBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-3-19-10-13(12-6-4-5-7-14(12)19)16(22)24-11(2)15(21)20-9-8-18-17(20)23/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,23).
What are the key properties of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate?
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate is sourced from PubChem (CID 18099018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).