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

C19H17N2O4- — CID 4648261

IUPAC3-[2-(2-ethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylate
SMILESCCOc1ccccc1NC(=O)Cc1c(C(=O)[O-])[nH]c2ccccc12
InChIInChI=1S/C19H18N2O4/c1-2-25-16-10-6-5-9-15(16)20-17(22)11-13-12-7-3-4-8-14(12)21-18(13)19(23)24/h3-10,21H,2,11H2,1H3,(H,20,22)(H,23,24)/p-1
InChIKeyINYHOCBBXYFECP-UHFFFAOYSA-M
MW337.36 g/mol
LogP2.11
Rot. Bonds6

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

3-[2-(2-ethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylate (PubChem CID 4648261) has the molecular formula C19H17N2O4- and a molecular weight of 337.36 g/mol. Its IUPAC name is 3-[2-(2-ethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Name3-[2-(2-ethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylate
PubChem CID4648261
Molecular FormulaC19H17N2O4-
Molecular Weight337.36 g/mol
Exact Mass337.12
IUPAC Name3-[2-(2-ethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylate
SMILESCCOc1ccccc1NC(=O)Cc1c(C(=O)[O-])[nH]c2ccccc12
InChIInChI=1S/C19H18N2O4/c1-2-25-16-10-6-5-9-15(16)20-17(22)11-13-12-7-3-4-8-14(12)21-18(13)19(23)24/h3-10,21H,2,11H2,1H3,(H,20,22)(H,23,24)/p-1
InChIKeyINYHOCBBXYFECP-UHFFFAOYSA-M
XLogP2.11
TPSA94.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-ethylanilino)-2-oxoethyl]-1H-indole-2-carboxylate
CID 3395599
3-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-1H-indole-2-carboxylate
CID 4646642
3-[2-(3-methylbutylamino)-2-oxoethyl]-1H-indole-2-carboxylate
CID 5184994
CID 174193763
CID 174193763
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate
CID 55703850
N-(2-ethoxyphenyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112790890
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
N-benzyl-N'-(2-ethoxyphenyl)propanediamide
CID 108945295
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
5-chloro-3-[2-(2-methoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 15995628
N-(2-ethoxyphenyl)-3-(1H-indol-4-yl)propanamide
CID 53160274
N-(2-ethoxyphenyl)octanamide
CID 4158866

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylate?
The IUPAC name of 3-[2-(2-ethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylate (CID 4648261) is 3-[2-(2-ethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylate.
What is the SMILES notation for 3-[2-(2-ethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylate?
The canonical SMILES for 3-[2-(2-ethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylate is CCOc1ccccc1NC(=O)Cc1c(C(=O)[O-])[nH]c2ccccc12.
What is the InChIKey of 3-[2-(2-ethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylate?
The InChIKey is INYHOCBBXYFECP-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18N2O4/c1-2-25-16-10-6-5-9-15(16)20-17(22)11-13-12-7-3-4-8-14(12)21-18(13)19(23)24/h3-10,21H,2,11H2,1H3,(H,20,22)(H,23,24)/p-1.
What are the key properties of 3-[2-(2-ethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylate?
3-[2-(2-ethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylate has a molecular weight of 337.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 4648261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).