ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate

C12H16N2O3 — CID 60812497

IUPACethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cccc(N)c1C
InChIInChI=1S/C12H16N2O3/c1-3-17-11(15)7-14-12(16)9-5-4-6-10(13)8(9)2/h4-6H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyGQOCXCGELMBBTK-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.87
Rot. Bonds4

About ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate

ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate (PubChem CID 60812497) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate
PubChem CID60812497
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cccc(N)c1C
InChIInChI=1S/C12H16N2O3/c1-3-17-11(15)7-14-12(16)9-5-4-6-10(13)8(9)2/h4-6H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyGQOCXCGELMBBTK-UHFFFAOYSA-N
XLogP0.87
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310303
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide
CID 78984760
ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate
CID 47329540
ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate
CID 103853398
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 61102386
ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate
CID 55177471
3-amino-2-methyl-N-prop-2-enylbenzamide
CID 28723067
3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 83142819
ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate
CID 139749939
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide
CID 78984271
ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate
CID 139749941

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate (CID 60812497) is ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1cccc(N)c1C.
What is the InChIKey of ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate?
The InChIKey is GQOCXCGELMBBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-17-11(15)7-14-12(16)9-5-4-6-10(13)8(9)2/h4-6H,3,7,13H2,1-2H3,(H,14,16).
What are the key properties of ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate?
ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate has a molecular weight of 236.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate is sourced from PubChem (CID 60812497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).