[2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate

C18H17N3O4 — CID 2346483

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17N3O4/c1-2-24-13-9-7-12(8-10-13)19-16(22)11-25-18(23)17-14-5-3-4-6-15(14)20-21-17/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyPMEQNAMYZFHMMY-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.76
Rot. Bonds6

About [2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate

[2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2346483) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2346483
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17N3O4/c1-2-24-13-9-7-12(8-10-13)19-16(22)11-25-18(23)17-14-5-3-4-6-15(14)20-21-17/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyPMEQNAMYZFHMMY-UHFFFAOYSA-N
XLogP2.76
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534537
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2479149
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 5100922
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7956451
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2523541
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2478469
[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534563
[2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2626910
[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7956476
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 1H-indazole-3-carboxylate
CID 4676467
[2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534560
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2379218

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2346483) is [2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate is CCOc1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is PMEQNAMYZFHMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-2-24-13-9-7-12(8-10-13)19-16(22)11-25-18(23)17-14-5-3-4-6-15(14)20-21-17/h3-10H,2,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2346483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).