[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate

C20H20N2O4 — CID 43015219

IUPAC[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
SMILESCCOc1ccc(NC(=O)C(C)OC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H20N2O4/c1-3-25-16-10-8-15(9-11-16)21-19(23)13(2)26-20(24)18-12-14-6-4-5-7-17(14)22-18/h4-13,22H,3H2,1-2H3,(H,21,23)
InChIKeyIXKBHWWYLMWBON-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.75
Rot. Bonds6

About [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate

[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate (PubChem CID 43015219) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
PubChem CID43015219
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
SMILESCCOc1ccc(NC(=O)C(C)OC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H20N2O4/c1-3-25-16-10-8-15(9-11-16)21-19(23)13(2)26-20(24)18-12-14-6-4-5-7-17(14)22-18/h4-13,22H,3H2,1-2H3,(H,21,23)
InChIKeyIXKBHWWYLMWBON-UHFFFAOYSA-N
XLogP3.75
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate
CID 24519182
[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 1H-indole-2-carboxylate
CID 7723727
[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 9110410
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 7466085
[1-(2-acetylanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 43015221
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 46618709
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 42886016
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
CID 8735714
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
CID 8735716
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-bromobenzoate
CID 46629707
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-[(R)-ethylsulfinyl]benzoate
CID 11935994
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 1H-indole-2-carboxylate
CID 47009903

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate?
The IUPAC name of [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate (CID 43015219) is [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate.
What is the SMILES notation for [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate?
The canonical SMILES for [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate is CCOc1ccc(NC(=O)C(C)OC(=O)c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate?
The InChIKey is IXKBHWWYLMWBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-25-16-10-8-15(9-11-16)21-19(23)13(2)26-20(24)18-12-14-6-4-5-7-17(14)22-18/h4-13,22H,3H2,1-2H3,(H,21,23).
What are the key properties of [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate?
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate is sourced from PubChem (CID 43015219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).