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

C19H16N2O5 — CID 7492820

IUPAC[2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H16N2O5/c1-25-18(23)13-7-3-5-9-16(13)21-17(22)11-26-19(24)14-10-20-15-8-4-2-6-12(14)15/h2-10,20H,11H2,1H3,(H,21,22)
InChIKeyPWVQPIMUWBRYME-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.75
Rot. Bonds5

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

[2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 7492820) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID7492820
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H16N2O5/c1-25-18(23)13-7-3-5-9-16(13)21-17(22)11-26-19(24)14-10-20-15-8-4-2-6-12(14)15/h2-10,20H,11H2,1H3,(H,21,22)
InChIKeyPWVQPIMUWBRYME-UHFFFAOYSA-N
XLogP2.75
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786670
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888845
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 55703991
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492809
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492898
ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate
CID 7662484
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18122861
methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 2625317
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235533
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492901
methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoate
CID 22691580

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate (CID 7492820) is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate is COC(=O)c1ccccc1NC(=O)COC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is PWVQPIMUWBRYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-25-18(23)13-7-3-5-9-16(13)21-17(22)11-26-19(24)14-10-20-15-8-4-2-6-12(14)15/h2-10,20H,11H2,1H3,(H,21,22).
What are the key properties of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 352.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 7492820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).