ethyl 2-[(2-ethoxybenzoyl)amino]acetate

C13H17NO4 — CID 4056517

IUPACethyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccccc1OCC
InChIInChI=1S/C13H17NO4/c1-3-17-11-8-6-5-7-10(11)13(16)14-9-12(15)18-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyPZYFTCFOJZADLO-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.38
Rot. Bonds6

About ethyl 2-[(2-ethoxybenzoyl)amino]acetate

ethyl 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 4056517) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is ethyl 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID4056517
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nameethyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccccc1OCC
InChIInChI=1S/C13H17NO4/c1-3-17-11-8-6-5-7-10(11)13(16)14-9-12(15)18-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyPZYFTCFOJZADLO-UHFFFAOYSA-N
XLogP1.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807817
ethyl 2-[(2-ethoxybenzoyl)carbamothioylamino]acetate
CID 18822963
ethyl 4-[2-[2-[(2-ethoxybenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 7807752
(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807819
(2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7951719
(1,3-dioxoisoindol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807779
2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807719
N-(2-amino-2-ethylbutyl)-2-ethoxybenzamide
CID 81484030
N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide
CID 115365704
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547953
[2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807869
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547921

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-ethoxybenzoyl)amino]acetate (CID 4056517) is ethyl 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-ethoxybenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1ccccc1OCC.
What is the InChIKey of ethyl 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is PZYFTCFOJZADLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-17-11-8-6-5-7-10(11)13(16)14-9-12(15)18-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16).
What are the key properties of ethyl 2-[(2-ethoxybenzoyl)amino]acetate?
ethyl 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 251.28 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 4056517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).