ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate

C13H17NO3 — CID 54785112

IUPACethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccccc1C
InChIInChI=1S/C13H17NO3/c1-4-17-12(15)9-14(3)13(16)11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3
InChIKeyHKPQQTUJSYBWEI-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.63
Rot. Bonds4

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

ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate (PubChem CID 54785112) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
PubChem CID54785112
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccccc1C
InChIInChI=1S/C13H17NO3/c1-4-17-12(15)9-14(3)13(16)11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3
InChIKeyHKPQQTUJSYBWEI-UHFFFAOYSA-N
XLogP1.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
ethyl 2-[(2-bromobenzoyl)-methylamino]acetate
CID 54982790
ethyl 2-[(5-amino-2-methylbenzoyl)-methylamino]acetate
CID 54969504
ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate
CID 54785098
ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate
CID 21463059
ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate
CID 54785153
ethyl 2-[methyl-(2-methyl-5-methylsulfanylbenzoyl)amino]acetate
CID 55003235
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate
CID 115257571
N,2-dimethyl-N-propylbenzamide;ethane
CID 142246396
ethyl 2-[(2-hydroxy-3-nitrobenzoyl)-methylamino]acetate
CID 103746415
ethyl 2-[[2-(3,5-ditert-butyl-4-hydroxybenzoyl)benzoyl]-methylamino]acetate
CID 19090544

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate (CID 54785112) is ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate is CCOC(=O)CN(C)C(=O)c1ccccc1C.
What is the InChIKey of ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate?
The InChIKey is HKPQQTUJSYBWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-17-12(15)9-14(3)13(16)11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate?
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate has a molecular weight of 235.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate is sourced from PubChem (CID 54785112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).