[2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate

C13H16N2O4 — CID 18195544

IUPAC[2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
SMILESCNC(=O)COC(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C13H16N2O4/c1-9(16)15-7-10-3-5-11(6-4-10)13(18)19-8-12(17)14-2/h3-6H,7-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyVCZMXZVFXZVLNF-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.23
Rot. Bonds5

About [2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate

[2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate (PubChem CID 18195544) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
PubChem CID18195544
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name[2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
SMILESCNC(=O)COC(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C13H16N2O4/c1-9(16)15-7-10-3-5-11(6-4-10)13(18)19-8-12(17)14-2/h3-6H,7-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyVCZMXZVFXZVLNF-UHFFFAOYSA-N
XLogP0.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195545
[2-(butan-2-ylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195539
[2-oxo-2-(2-phenylpropylamino)ethyl] 4-(acetamidomethyl)benzoate
CID 18195635
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195508
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 30996024
[2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8915474
[2-(methylamino)-2-oxoethyl] benzoate
CID 14033068
[2-(benzylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538376
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-(acetamidomethyl)benzoate
CID 18195644
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-aminobenzoate
CID 23999522
(3,5-dimethylphenyl)methyl 4-(acetamidomethyl)benzoate
CID 18195643

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate (CID 18195544) is [2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate is CNC(=O)COC(=O)c1ccc(CNC(C)=O)cc1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate?
The InChIKey is VCZMXZVFXZVLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-9(16)15-7-10-3-5-11(6-4-10)13(18)19-8-12(17)14-2/h3-6H,7-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of [2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate?
[2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate has a molecular weight of 264.28 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate is sourced from PubChem (CID 18195544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).