[2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate

C12H14N2O4 — CID 2519687

IUPAC[2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)NC(N)=O)c1
InChIInChI=1S/C12H14N2O4/c1-7-3-4-8(2)9(5-7)11(16)18-6-10(15)14-12(13)17/h3-5H,6H2,1-2H3,(H3,13,14,15,17)
InChIKeyZXUASLNPAQCFNX-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.66
Rot. Bonds3

About [2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate

[2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate (PubChem CID 2519687) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate
PubChem CID2519687
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)NC(N)=O)c1
InChIInChI=1S/C12H14N2O4/c1-7-3-4-8(2)9(5-7)11(16)18-6-10(15)14-12(13)17/h3-5H,6H2,1-2H3,(H3,13,14,15,17)
InChIKeyZXUASLNPAQCFNX-UHFFFAOYSA-N
XLogP0.66
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519727
(2-anilino-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519928
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519664
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 27213210
[2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519930
[2-(2,6-diethylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 7747216
[2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519942
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520086
[2-(dimethylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 17422299
[2-(carbamoylamino)-2-oxoethyl] 2-amino-3-methylbenzoate
CID 51616264
[2-(carbamoylamino)-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 42971764
[2-(2-bromoanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520073

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate (CID 2519687) is [2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate is Cc1ccc(C)c(C(=O)OCC(=O)NC(N)=O)c1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate?
The InChIKey is ZXUASLNPAQCFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7-3-4-8(2)9(5-7)11(16)18-6-10(15)14-12(13)17/h3-5H,6H2,1-2H3,(H3,13,14,15,17).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate?
[2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate has a molecular weight of 250.25 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate is sourced from PubChem (CID 2519687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).