ethyl 2-(N-(2-ethoxy-2-oxoethyl)anilino)acetate

C14H19NO4 — CID 3734838

IUPACethyl 2-(N-(2-ethoxy-2-oxoethyl)anilino)acetate
SMILESCCOC(=O)CN(CC(=O)OCC)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-3-18-13(16)10-15(11-14(17)19-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyPIEZBVFUEZYPBJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.62
Rot. Bonds7

About ethyl 2-(N-(2-ethoxy-2-oxoethyl)anilino)acetate

ethyl 2-(N-(2-ethoxy-2-oxoethyl)anilino)acetate (PubChem CID 3734838) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-(N-(2-ethoxy-2-oxoethyl)anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-(2-ethoxy-2-oxoethyl)anilino)acetate
PubChem CID3734838
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-(N-(2-ethoxy-2-oxoethyl)anilino)acetate
SMILESCCOC(=O)CN(CC(=O)OCC)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-3-18-13(16)10-15(11-14(17)19-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyPIEZBVFUEZYPBJ-UHFFFAOYSA-N
XLogP1.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(N-(2-ethoxy-2-oxoethyl)anilino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Phenylmorpholine
CID 62339
13-Phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 626432
Ethanol, 2,2'-(phenylimino)bis-, 1,1'-diacetate
CID 29521
N-Phenyliminodiacetic acid
CID 136915
Glycine, N-acetyl-N-phenyl-
CID 68483
N-Phenylglycine ethyl ester
CID 75190
Mercury, (acetato-O)(4-(diethylamino)phenyl)-
CID 16683021
Carbanilic acid, N-ethyl-, ethyl ester
CID 13901
2-(Diethylamino)ethyl N-phenylcarbamate
CID 19538
3-Phenyl-2-oxazolidinone
CID 136547
Ethyl 2-(phenylamino)propanoate
CID 296040
2-Phenylamino-malonic acid diethyl ester
CID 299984

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-(2-ethoxy-2-oxoethyl)anilino)acetate?
The IUPAC name of ethyl 2-(N-(2-ethoxy-2-oxoethyl)anilino)acetate (CID 3734838) is ethyl 2-(N-(2-ethoxy-2-oxoethyl)anilino)acetate.
What is the SMILES notation for ethyl 2-(N-(2-ethoxy-2-oxoethyl)anilino)acetate?
The canonical SMILES for ethyl 2-(N-(2-ethoxy-2-oxoethyl)anilino)acetate is CCOC(=O)CN(CC(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl 2-(N-(2-ethoxy-2-oxoethyl)anilino)acetate?
The InChIKey is PIEZBVFUEZYPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-18-13(16)10-15(11-14(17)19-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of ethyl 2-(N-(2-ethoxy-2-oxoethyl)anilino)acetate?
ethyl 2-(N-(2-ethoxy-2-oxoethyl)anilino)acetate has a molecular weight of 265.31 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-(2-ethoxy-2-oxoethyl)anilino)acetate is sourced from PubChem (CID 3734838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).