methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate

C20H22N2O5 — CID 55561380

IUPACmethyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate
SMILESCCNC(=O)c1cccc(NC(=O)COc2cc(C(=O)OC)ccc2C)c1
InChIInChI=1S/C20H22N2O5/c1-4-21-19(24)14-6-5-7-16(10-14)22-18(23)12-27-17-11-15(20(25)26-3)9-8-13(17)2/h5-11H,4,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyQQTUKLOPNYCEJD-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.55
Rot. Bonds7

About methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate

methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate (PubChem CID 55561380) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate
PubChem CID55561380
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namemethyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate
SMILESCCNC(=O)c1cccc(NC(=O)COc2cc(C(=O)OC)ccc2C)c1
InChIInChI=1S/C20H22N2O5/c1-4-21-19(24)14-6-5-7-16(10-14)22-18(23)12-27-17-11-15(20(25)26-3)9-8-13(17)2/h5-11H,4,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyQQTUKLOPNYCEJD-UHFFFAOYSA-N
XLogP2.55
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate
CID 8806398
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218964
3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222626
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335752
methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17230817
3-[[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 26051759
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230671
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate
CID 27893664
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164583
propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167371
methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate
CID 26240710
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 4-methyl-3-nitrobenzoate
CID 9339677

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate?
The IUPAC name of methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate (CID 55561380) is methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate?
The canonical SMILES for methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate is CCNC(=O)c1cccc(NC(=O)COc2cc(C(=O)OC)ccc2C)c1.
What is the InChIKey of methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate?
The InChIKey is QQTUKLOPNYCEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-4-21-19(24)14-6-5-7-16(10-14)22-18(23)12-27-17-11-15(20(25)26-3)9-8-13(17)2/h5-11H,4,12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate?
methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate has a molecular weight of 370.41 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate is sourced from PubChem (CID 55561380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).