[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate

C13H16N2O5 — CID 7771432

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
SMILESCCNC(=O)NC(=O)COC(=O)c1cc(C)ccc1O
InChIInChI=1S/C13H16N2O5/c1-3-14-13(19)15-11(17)7-20-12(18)9-6-8(2)4-5-10(9)16/h4-6,16H,3,7H2,1-2H3,(H2,14,15,17,19)
InChIKeyWAAVYLYYNUFUHZ-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.70
Rot. Bonds4

About [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate (PubChem CID 7771432) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
PubChem CID7771432
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
SMILESCCNC(=O)NC(=O)COC(=O)c1cc(C)ccc1O
InChIInChI=1S/C13H16N2O5/c1-3-14-13(19)15-11(17)7-20-12(18)9-6-8(2)4-5-10(9)16/h4-6,16H,3,7H2,1-2H3,(H2,14,15,17,19)
InChIKeyWAAVYLYYNUFUHZ-UHFFFAOYSA-N
XLogP0.70
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771951
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771385
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771265
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-5-methylbenzoate
CID 7771336
[2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate
CID 2544060
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611623
[2-(ethylcarbamoylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2554887
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149238
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-hydroxy-5-methylbenzoate
CID 40933179
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771690
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2511496
[2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729510

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate (CID 7771432) is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate is CCNC(=O)NC(=O)COC(=O)c1cc(C)ccc1O.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate?
The InChIKey is WAAVYLYYNUFUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-3-14-13(19)15-11(17)7-20-12(18)9-6-8(2)4-5-10(9)16/h4-6,16H,3,7H2,1-2H3,(H2,14,15,17,19).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate has a molecular weight of 280.28 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate is sourced from PubChem (CID 7771432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).