methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate

C15H18N2O5 — CID 108943555

IUPACmethyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H18N2O5/c1-21-15(20)11-2-4-12(5-3-11)16-13(18)10-14(19)17-6-8-22-9-7-17/h2-5H,6-10H2,1H3,(H,16,18)
InChIKeyAKAUIOQSXJHFBY-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.66
Rot. Bonds4

About methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate

methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate (PubChem CID 108943555) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate
PubChem CID108943555
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Namemethyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H18N2O5/c1-21-15(20)11-2-4-12(5-3-11)16-13(18)10-14(19)17-6-8-22-9-7-17/h2-5H,6-10H2,1H3,(H,16,18)
InChIKeyAKAUIOQSXJHFBY-UHFFFAOYSA-N
XLogP0.66
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)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

methyl 4-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 26417352
methyl 4-[(2-morpholin-4-yl-2-sulfanylideneacetyl)amino]benzoate
CID 6421421
N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943532
methyl 4-(morpholine-4-carbothioyl)benzoate
CID 974575
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711432
N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943529
methyl 4-[[2-(3,3-dimethylmorpholin-4-yl)acetyl]amino]benzoate
CID 55987244
methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate
CID 109010194
methyl 4-[[2-(morpholine-4-carbonyl)-3-morpholin-4-yl-3-oxoprop-1-enyl]amino]benzoate
CID 21236218
ethyl 4-[[3-oxo-3-(4-phenylpiperazin-1-yl)propanoyl]amino]benzoate
CID 108949464
methyl 4-[(2-pyrrolidin-1-ylacetyl)amino]benzoate
CID 558416
ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate
CID 2250451

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate?
The IUPAC name of methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate (CID 108943555) is methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate is COC(=O)c1ccc(NC(=O)CC(=O)N2CCOCC2)cc1.
What is the InChIKey of methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate?
The InChIKey is AKAUIOQSXJHFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-21-15(20)11-2-4-12(5-3-11)16-13(18)10-14(19)17-6-8-22-9-7-17/h2-5H,6-10H2,1H3,(H,16,18).
What are the key properties of methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate?
methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate has a molecular weight of 306.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate is sourced from PubChem (CID 108943555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).