methyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate

C17H23NO4 — CID 56785300

IUPACmethyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate
SMILESCCC1CN(C(=O)CCc2ccc(C(=O)OC)cc2)CCO1
InChIInChI=1S/C17H23NO4/c1-3-15-12-18(10-11-22-15)16(19)9-6-13-4-7-14(8-5-13)17(20)21-2/h4-5,7-8,15H,3,6,9-12H2,1-2H3
InChIKeyWPBIIVUMHXFTKG-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.04
Rot. Bonds5

About methyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate

methyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate (PubChem CID 56785300) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is methyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate
PubChem CID56785300
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namemethyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate
SMILESCCC1CN(C(=O)CCc2ccc(C(=O)OC)cc2)CCO1
InChIInChI=1S/C17H23NO4/c1-3-15-12-18(10-11-22-15)16(19)9-6-13-4-7-14(8-5-13)17(20)21-2/h4-5,7-8,15H,3,6,9-12H2,1-2H3
InChIKeyWPBIIVUMHXFTKG-UHFFFAOYSA-N
XLogP2.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]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

4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoic acid
CID 119182801
4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid
CID 119185780
methyl 4-[[(2R)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 94878692
methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 95160013
methyl 4-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]benzoate
CID 167311588
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
methyl 4-[3-[(3S)-3-(ethylcarbamoyl)piperidin-1-yl]-3-oxopropyl]benzoate
CID 95235975
methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate
CID 25379116
1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone
CID 43562198
methyl 4-[3-[4-(aminomethyl)piperidin-1-yl]-3-oxopropyl]benzoate;hydrochloride
CID 167311591
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate?
The IUPAC name of methyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate (CID 56785300) is methyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate.
What is the SMILES notation for methyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate?
The canonical SMILES for methyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate is CCC1CN(C(=O)CCc2ccc(C(=O)OC)cc2)CCO1.
What is the InChIKey of methyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate?
The InChIKey is WPBIIVUMHXFTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-3-15-12-18(10-11-22-15)16(19)9-6-13-4-7-14(8-5-13)17(20)21-2/h4-5,7-8,15H,3,6,9-12H2,1-2H3.
What are the key properties of methyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate?
methyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate has a molecular weight of 305.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoate is sourced from PubChem (CID 56785300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).