ethyl 3-[(2-ethoxybenzoyl)amino]-1H-indole-2-carboxylate

C20H20N2O4 — CID 2157289

IUPACethyl 3-[(2-ethoxybenzoyl)amino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccccc1OCC
InChIInChI=1S/C20H20N2O4/c1-3-25-16-12-8-6-10-14(16)19(23)22-17-13-9-5-7-11-15(13)21-18(17)20(24)26-4-2/h5-12,21H,3-4H2,1-2H3,(H,22,23)
InChIKeyCDOUHWMXTOLBMD-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.00
Rot. Bonds6

About ethyl 3-[(2-ethoxybenzoyl)amino]-1H-indole-2-carboxylate

ethyl 3-[(2-ethoxybenzoyl)amino]-1H-indole-2-carboxylate (PubChem CID 2157289) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 3-[(2-ethoxybenzoyl)amino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2-ethoxybenzoyl)amino]-1H-indole-2-carboxylate
PubChem CID2157289
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Nameethyl 3-[(2-ethoxybenzoyl)amino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccccc1OCC
InChIInChI=1S/C20H20N2O4/c1-3-25-16-12-8-6-10-14(16)19(23)22-17-13-9-5-7-11-15(13)21-18(17)20(24)26-4-2/h5-12,21H,3-4H2,1-2H3,(H,22,23)
InChIKeyCDOUHWMXTOLBMD-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-ethoxybenzoyl)amino]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-[(2-ethoxybenzoyl)amino]-1H-indole-2-carboxylate (CID 2157289) is ethyl 3-[(2-ethoxybenzoyl)amino]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-[(2-ethoxybenzoyl)amino]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-[(2-ethoxybenzoyl)amino]-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccccc1OCC.
What is the InChIKey of ethyl 3-[(2-ethoxybenzoyl)amino]-1H-indole-2-carboxylate?
The InChIKey is CDOUHWMXTOLBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-25-16-12-8-6-10-14(16)19(23)22-17-13-9-5-7-11-15(13)21-18(17)20(24)26-4-2/h5-12,21H,3-4H2,1-2H3,(H,22,23).
What are the key properties of ethyl 3-[(2-ethoxybenzoyl)amino]-1H-indole-2-carboxylate?
ethyl 3-[(2-ethoxybenzoyl)amino]-1H-indole-2-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-ethoxybenzoyl)amino]-1H-indole-2-carboxylate is sourced from PubChem (CID 2157289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).