ethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate

C14H20N2O4 — CID 60958970

IUPACethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1ccccc1N
InChIInChI=1S/C14H20N2O4/c1-3-20-13(17)10-16(8-9-19-2)14(18)11-6-4-5-7-12(11)15/h4-7H,3,8-10,15H2,1-2H3
InChIKeyOFACNZLQGXOIBJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.92
Rot. Bonds7

About ethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate

ethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate (PubChem CID 60958970) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate
PubChem CID60958970
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1ccccc1N
InChIInChI=1S/C14H20N2O4/c1-3-20-13(17)10-16(8-9-19-2)14(18)11-6-4-5-7-12(11)15/h4-7H,3,8-10,15H2,1-2H3
InChIKeyOFACNZLQGXOIBJ-UHFFFAOYSA-N
XLogP0.92
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate
CID 60620709
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide
CID 61106039
ethyl 2-[(4-hydroxy-2-methylbenzoyl)-(2-methoxyethyl)amino]acetate
CID 103863690
ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 106501591
ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate
CID 115497491
ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 103892104
2-amino-N,N-dipropylbenzamide
CID 16769117
ethyl 2-[(4-amino-1-methylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetate
CID 61108695
ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate
CID 114328195
ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate
CID 81228292
2-amino-N-(3-methoxypropyl)-N-methylbenzamide
CID 62983937
2-amino-N,N-dipropylbenzamide;hydrochloride
CID 119943594

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate (CID 60958970) is ethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)c1ccccc1N.
What is the InChIKey of ethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate?
The InChIKey is OFACNZLQGXOIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-20-13(17)10-16(8-9-19-2)14(18)11-6-4-5-7-12(11)15/h4-7H,3,8-10,15H2,1-2H3.
What are the key properties of ethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate?
ethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate has a molecular weight of 280.32 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 60958970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).