ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate

C13H18N2O3 — CID 139749939

IUPACethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(CC)ccc1N
InChIInChI=1S/C13H18N2O3/c1-3-9-5-6-11(14)10(7-9)13(17)15-8-12(16)18-4-2/h5-7H,3-4,8,14H2,1-2H3,(H,15,17)
InChIKeyODCCZZYXBXNWAM-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.12
Rot. Bonds5

About ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate

ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate (PubChem CID 139749939) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate
PubChem CID139749939
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(CC)ccc1N
InChIInChI=1S/C13H18N2O3/c1-3-9-5-6-11(14)10(7-9)13(17)15-8-12(16)18-4-2/h5-7H,3-4,8,14H2,1-2H3,(H,15,17)
InChIKeyODCCZZYXBXNWAM-UHFFFAOYSA-N
XLogP1.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.12
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

ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate
CID 139749941
ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate
CID 60812497
ethyl 2-[(4-bromo-2-methylbenzoyl)amino]acetate
CID 47257656
ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate
CID 65307374
ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
CID 60810629
ethyl 2-[(2-bromo-5-fluorobenzoyl)amino]acetate
CID 47257275
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
2-amino-N-ethyl-5-(fluoromethyl)benzamide
CID 89164524
ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate
CID 103853398
ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate
CID 64576957
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
ethyl 2-bromo-5-ethylbenzoate
CID 91882232

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate (CID 139749939) is ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1cc(CC)ccc1N.
What is the InChIKey of ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate?
The InChIKey is ODCCZZYXBXNWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-9-5-6-11(14)10(7-9)13(17)15-8-12(16)18-4-2/h5-7H,3-4,8,14H2,1-2H3,(H,15,17).
What are the key properties of ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate?
ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate has a molecular weight of 250.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate is sourced from PubChem (CID 139749939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).