ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate

C15H21NO3 — CID 54900748

IUPACethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1ccc(CC)cc1
InChIInChI=1S/C15H21NO3/c1-4-12-7-9-13(10-8-12)15(18)16(5-2)11-14(17)19-6-3/h7-10H,4-6,11H2,1-3H3
InChIKeySJEDDIPHLIAEIH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.27
Rot. Bonds6

About ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate

ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate (PubChem CID 54900748) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate
PubChem CID54900748
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1ccc(CC)cc1
InChIInChI=1S/C15H21NO3/c1-4-12-7-9-13(10-8-12)15(18)16(5-2)11-14(17)19-6-3/h7-10H,4-6,11H2,1-3H3
InChIKeySJEDDIPHLIAEIH-UHFFFAOYSA-N
XLogP2.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[ethyl-(4-ethylbenzoyl)amino]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

ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate
CID 78902194
ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate
CID 54978868
ethyl 2-[[4-(methylsulfanylmethyl)benzoyl]-prop-2-enylamino]acetate
CID 78978188
N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638
ethyl 2-[(3-chloro-4-iodobenzoyl)-propylamino]acetate
CID 103736240
ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate
CID 54949215
methyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate
CID 61383449
ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate
CID 61073584
ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate
CID 61013447
ethyl 2-[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]acetate
CID 10646692
ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
CID 62028710
ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate
CID 81227208

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate (CID 54900748) is ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate is CCOC(=O)CN(CC)C(=O)c1ccc(CC)cc1.
What is the InChIKey of ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate?
The InChIKey is SJEDDIPHLIAEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-12-7-9-13(10-8-12)15(18)16(5-2)11-14(17)19-6-3/h7-10H,4-6,11H2,1-3H3.
What are the key properties of ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate?
ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate has a molecular weight of 263.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate is sourced from PubChem (CID 54900748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).