[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate

C18H18N2O5 — CID 17396359

IUPAC[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate
SMILESCNC(=O)c1cccc(NC(=O)COC(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C18H18N2O5/c1-19-17(22)12-5-3-7-14(9-12)20-16(21)11-25-18(23)13-6-4-8-15(10-13)24-2/h3-10H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMTWQOQVRYOOGQU-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.85
Rot. Bonds6

About [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate

[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate (PubChem CID 17396359) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate.

Molecular Properties

Compound Name[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate
PubChem CID17396359
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate
SMILESCNC(=O)c1cccc(NC(=O)COC(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C18H18N2O5/c1-19-17(22)12-5-3-7-14(9-12)20-16(21)11-25-18(23)13-6-4-8-15(10-13)24-2/h3-10H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMTWQOQVRYOOGQU-UHFFFAOYSA-N
XLogP1.85
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-O-[2-(3-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296644
[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582238
[2-(4-bromoanilino)-2-oxoethyl] 3-methoxybenzoate
CID 7824538
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate
CID 18102829
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
CID 33258058
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-methoxybenzoate
CID 24658441
[2-(3-bromoanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2516602
ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate
CID 17226184
(2-benzamido-2-oxoethyl) 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538923
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 8885391

Frequently Asked Questions

What is the IUPAC name of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate?
The IUPAC name of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate (CID 17396359) is [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate.
What is the SMILES notation for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate?
The canonical SMILES for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate is CNC(=O)c1cccc(NC(=O)COC(=O)c2cccc(OC)c2)c1.
What is the InChIKey of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate?
The InChIKey is MTWQOQVRYOOGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-19-17(22)12-5-3-7-14(9-12)20-16(21)11-25-18(23)13-6-4-8-15(10-13)24-2/h3-10H,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate?
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate has a molecular weight of 342.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate is sourced from PubChem (CID 17396359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).