[2-(4-carbamoylanilino)-2-oxoethyl] 1H-indole-3-carboxylate

C18H15N3O4 — CID 7492808

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H15N3O4/c19-17(23)11-5-7-12(8-6-11)21-16(22)10-25-18(24)14-9-20-15-4-2-1-3-13(14)15/h1-9,20H,10H2,(H2,19,23)(H,21,22)
InChIKeyFZMJBOYDWQADOR-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.06
Rot. Bonds5

About [2-(4-carbamoylanilino)-2-oxoethyl] 1H-indole-3-carboxylate

[2-(4-carbamoylanilino)-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 7492808) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID7492808
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H15N3O4/c19-17(23)11-5-7-12(8-6-11)21-16(22)10-25-18(24)14-9-20-15-4-2-1-3-13(14)15/h1-9,20H,10H2,(H2,19,23)(H,21,22)
InChIKeyFZMJBOYDWQADOR-UHFFFAOYSA-N
XLogP2.06
TPSA114.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 1H-indole-3-carboxylate (CID 7492808) is [2-(4-carbamoylanilino)-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 1H-indole-3-carboxylate is NC(=O)c1ccc(NC(=O)COC(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is FZMJBOYDWQADOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c19-17(23)11-5-7-12(8-6-11)21-16(22)10-25-18(24)14-9-20-15-4-2-1-3-13(14)15/h1-9,20H,10H2,(H2,19,23)(H,21,22).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
[2-(4-carbamoylanilino)-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 337.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 7492808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).