ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate

C15H18N2O5 — CID 2250451

IUPACethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H18N2O5/c1-2-22-15(20)11-3-5-12(6-4-11)16-13(18)14(19)17-7-9-21-10-8-17/h3-6H,2,7-10H2,1H3,(H,16,18)
InChIKeyRJCWKTYMPQZCJP-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.66
Rot. Bonds3

About ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate

ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate (PubChem CID 2250451) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate
PubChem CID2250451
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Nameethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H18N2O5/c1-2-22-15(20)11-3-5-12(6-4-11)16-13(18)14(19)17-7-9-21-10-8-17/h3-6H,2,7-10H2,1H3,(H,16,18)
InChIKeyRJCWKTYMPQZCJP-UHFFFAOYSA-N
XLogP0.66
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate 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 4-[[2-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109133425
ethyl 4-[[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoate
CID 108500168
ethyl 4-[[2-(2-morpholin-4-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108500117
ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate
CID 109052957
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711432
ethyl 4-[[4-(morpholine-4-carbonyl)piperidine-1-carbothioyl]amino]benzoate
CID 5296823
ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate
CID 110179174
methyl 4-[(2-morpholin-4-yl-2-sulfanylideneacetyl)amino]benzoate
CID 6421421
ethyl 4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
CID 108500096
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
CID 108500088
ethyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 28575201
ethyl 4-[(2-morpholin-4-ium-4-ylacetyl)amino]benzoate
CID 7360402

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate?
The IUPAC name of ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate (CID 2250451) is ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)C(=O)N2CCOCC2)cc1.
What is the InChIKey of ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate?
The InChIKey is RJCWKTYMPQZCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-2-22-15(20)11-3-5-12(6-4-11)16-13(18)14(19)17-7-9-21-10-8-17/h3-6H,2,7-10H2,1H3,(H,16,18).
What are the key properties of ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate?
ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate has a molecular weight of 306.32 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate is sourced from PubChem (CID 2250451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).