[2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate

C18H18N2O6 — CID 2503755

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c1OC
InChIInChI=1S/C18H18N2O6/c1-24-14-5-3-4-13(16(14)25-2)18(23)26-10-15(21)20-12-8-6-11(7-9-12)17(19)22/h3-9H,10H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyWIADATONMBHNGV-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.60
Rot. Bonds7

About [2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate

[2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate (PubChem CID 2503755) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
PubChem CID2503755
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c1OC
InChIInChI=1S/C18H18N2O6/c1-24-14-5-3-4-13(16(14)25-2)18(23)26-10-15(21)20-12-8-6-11(7-9-12)17(19)22/h3-9H,10H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyWIADATONMBHNGV-UHFFFAOYSA-N
XLogP1.60
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503626
[2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596085
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503619
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 8872111
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503716
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 7726160
[2-(4-methoxyanilino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2522313
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2,3-dimethoxybenzoate
CID 42962825
[2-(4-carbamoylanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2499683
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate
CID 7811220
[3-(2,3-dimethoxybenzoyl)oxy-2-oxopropyl] 2,3-dimethoxybenzoate
CID 3910896
[2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075546

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate (CID 2503755) is [2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate is COc1cccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c1OC.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate?
The InChIKey is WIADATONMBHNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-24-14-5-3-4-13(16(14)25-2)18(23)26-10-15(21)20-12-8-6-11(7-9-12)17(19)22/h3-9H,10H2,1-2H3,(H2,19,22)(H,20,21).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate?
[2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate has a molecular weight of 358.35 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate is sourced from PubChem (CID 2503755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).