[2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate

C14H17NO5 — CID 2572130

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1cccc(C)c1C
InChIInChI=1S/C14H17NO5/c1-4-19-14(18)15-12(16)8-20-13(17)11-7-5-6-9(2)10(11)3/h5-7H,4,8H2,1-3H3,(H,15,16,18)
InChIKeyIJXDXGSHOYJHJI-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.73
Rot. Bonds4

About [2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate

[2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate (PubChem CID 2572130) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate
PubChem CID2572130
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1cccc(C)c1C
InChIInChI=1S/C14H17NO5/c1-4-19-14(18)15-12(16)8-20-13(17)11-7-5-6-9(2)10(11)3/h5-7H,4,8H2,1-3H3,(H,15,16,18)
InChIKeyIJXDXGSHOYJHJI-UHFFFAOYSA-N
XLogP1.73
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2540036
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2,3-dimethylbenzoate
CID 9079838
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658568
[2-(ethoxycarbonylamino)-2-oxoethyl] benzoate
CID 2516974
2-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 60911052
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7740541
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(butylamino)benzoate
CID 2613842
aminomethyl 2,3-dimethylbenzoate
CID 66871801
ethyl 2-[[2-(2,3-dimethylbenzoyl)oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7765167
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2,3-dimethylbenzoate
CID 9079683
[2-(4-butylanilino)-2-oxoethyl] 2,3-dimethylbenzoate
CID 2390832
[2-(carbamoylamino)-2-oxoethyl] 2-amino-3-methylbenzoate
CID 51616264

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate (CID 2572130) is [2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate is CCOC(=O)NC(=O)COC(=O)c1cccc(C)c1C.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate?
The InChIKey is IJXDXGSHOYJHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-4-19-14(18)15-12(16)8-20-13(17)11-7-5-6-9(2)10(11)3/h5-7H,4,8H2,1-3H3,(H,15,16,18).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate has a molecular weight of 279.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 2,3-dimethylbenzoate is sourced from PubChem (CID 2572130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).