methyl 2-[benzoyl(ethyl)amino]acetate

C12H15NO3 — CID 57002755

IUPACmethyl 2-[benzoyl(ethyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-3-13(9-11(14)16-2)12(15)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyVGNUODVKLUAZNL-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.32
Rot. Bonds4

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

methyl 2-[benzoyl(ethyl)amino]acetate (PubChem CID 57002755) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 2-[benzoyl(ethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzoyl(ethyl)amino]acetate
PubChem CID57002755
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 2-[benzoyl(ethyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-3-13(9-11(14)16-2)12(15)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyVGNUODVKLUAZNL-UHFFFAOYSA-N
XLogP1.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate
CID 54979363
methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
CID 61383269
CID 174412487
CID 174412487
methyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate
CID 61383449
methyl 2-[(3-methoxybenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952792
methyl 2-[ethyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 54979638
methyl 2-[ethyl-(5-phenyl-2H-triazole-4-carbonyl)amino]acetate
CID 166230172
ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate
CID 78902194
methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952978
methyl 2-[benzyl-[4-(diethylcarbamoyl)phenyl]sulfonylamino]acetate
CID 47956024
methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate
CID 61383603
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylbenzamide
CID 18077820

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzoyl(ethyl)amino]acetate?
The IUPAC name of methyl 2-[benzoyl(ethyl)amino]acetate (CID 57002755) is methyl 2-[benzoyl(ethyl)amino]acetate.
What is the SMILES notation for methyl 2-[benzoyl(ethyl)amino]acetate?
The canonical SMILES for methyl 2-[benzoyl(ethyl)amino]acetate is CCN(CC(=O)OC)C(=O)c1ccccc1.
What is the InChIKey of methyl 2-[benzoyl(ethyl)amino]acetate?
The InChIKey is VGNUODVKLUAZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-13(9-11(14)16-2)12(15)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3.
What are the key properties of methyl 2-[benzoyl(ethyl)amino]acetate?
methyl 2-[benzoyl(ethyl)amino]acetate has a molecular weight of 221.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzoyl(ethyl)amino]acetate is sourced from PubChem (CID 57002755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).