ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate

C14H18N2O4 — CID 47257628

IUPACethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN(C)C(=O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-3-20-13(18)9-15-12(17)10-16(2)14(19)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,15,17)
InChIKeyVBLUIDLEZKIYIJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.44
Rot. Bonds6

About ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate

ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate (PubChem CID 47257628) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate
PubChem CID47257628
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Nameethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN(C)C(=O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-3-20-13(18)9-15-12(17)10-16(2)14(19)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,15,17)
InChIKeyVBLUIDLEZKIYIJ-UHFFFAOYSA-N
XLogP0.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427325
ethyl 2-(1-phenylethenylamino)acetate
CID 142204564
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide
CID 106164142
tert-butyl 2-[benzoyl(methyl)amino]acetate
CID 78991310
ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 54785133
ethyl 2-[benzoyl(chloro)amino]acetate
CID 121217750
ethyl 2-[[2-(4-phenylphenyl)acetyl]amino]acetate
CID 163761967
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid
CID 106107222
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate (CID 47257628) is ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate is CCOC(=O)CNC(=O)CN(C)C(=O)c1ccccc1.
What is the InChIKey of ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate?
The InChIKey is VBLUIDLEZKIYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-20-13(18)9-15-12(17)10-16(2)14(19)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,15,17).
What are the key properties of ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate?
ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate has a molecular weight of 278.31 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 47257628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).