ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate

C12H16N2O3 — CID 60810629

IUPACethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C12H16N2O3/c1-3-17-11(15)7-14-12(16)9-5-4-8(2)10(13)6-9/h4-6H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyIEJDIPCGQYPYEI-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.87
Rot. Bonds4

About ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate

ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate (PubChem CID 60810629) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
PubChem CID60810629
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C12H16N2O3/c1-3-17-11(15)7-14-12(16)9-5-4-8(2)10(13)6-9/h4-6H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyIEJDIPCGQYPYEI-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

methyl 3-[(3-amino-4-methylbenzoyl)amino]propanoate
CID 43665854
3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114614951
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
2-[[(3-amino-4-methylbenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 115430375
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide
CID 106289291
methyl 6-[(3-amino-4-methylbenzoyl)amino]hexanoate
CID 110488216
ethyl 2-[[3-(3-aminoprop-1-ynyl)-4-methylbenzoyl]amino]acetate
CID 81475690
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide
CID 54979034
ethyl 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]acetate
CID 60895921
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate (CID 60810629) is ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1ccc(C)c(N)c1.
What is the InChIKey of ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate?
The InChIKey is IEJDIPCGQYPYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-17-11(15)7-14-12(16)9-5-4-8(2)10(13)6-9/h4-6H,3,7,13H2,1-2H3,(H,14,16).
What are the key properties of ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate?
ethyl 2-[(3-amino-4-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-4-methylbenzoyl)amino]acetate is sourced from PubChem (CID 60810629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).