ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate

C13H18N2O3 — CID 55177471

IUPACethyl 2-[[2-(ethylamino)benzoyl]amino]acetate
SMILESCCNc1ccccc1C(=O)NCC(=O)OCC
InChIInChI=1S/C13H18N2O3/c1-3-14-11-8-6-5-7-10(11)13(17)15-9-12(16)18-4-2/h5-8,14H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyHTHVWYBYLHPPEK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.41
Rot. Bonds6

About ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate

ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate (PubChem CID 55177471) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(ethylamino)benzoyl]amino]acetate
PubChem CID55177471
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 2-[[2-(ethylamino)benzoyl]amino]acetate
SMILESCCNc1ccccc1C(=O)NCC(=O)OCC
InChIInChI=1S/C13H18N2O3/c1-3-14-11-8-6-5-7-10(11)13(17)15-9-12(16)18-4-2/h5-8,14H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyHTHVWYBYLHPPEK-UHFFFAOYSA-N
XLogP1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82724577
ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate
CID 63108435
ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate
CID 60812497
ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate
CID 12735876
N-(4-aminobutyl)-2-(ethylamino)benzamide
CID 55178434
ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate
CID 103853398
ethyl 2-[(2-iodo-3-methylbenzoyl)amino]acetate
CID 47329540
ethyl 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]acetate
CID 60816131
2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
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2-(ethylamino)-N-(4-methoxybutyl)benzamide
CID 55047330

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate (CID 55177471) is ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate is CCNc1ccccc1C(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate?
The InChIKey is HTHVWYBYLHPPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-14-11-8-6-5-7-10(11)13(17)15-9-12(16)18-4-2/h5-8,14H,3-4,9H2,1-2H3,(H,15,17).
What are the key properties of ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate?
ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate has a molecular weight of 250.30 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate is sourced from PubChem (CID 55177471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).