methyl 3-methyl-2-morpholin-4-yl-4-oxo-4-phenylbutanoate

C16H21NO4 — CID 135015813

IUPACmethyl 3-methyl-2-morpholin-4-yl-4-oxo-4-phenylbutanoate
SMILESCOC(=O)C(C(C)C(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C16H21NO4/c1-12(15(18)13-6-4-3-5-7-13)14(16(19)20-2)17-8-10-21-11-9-17/h3-7,12,14H,8-11H2,1-2H3
InChIKeyNONYIYDREBUIBA-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.38
Rot. Bonds5

About methyl 3-methyl-2-morpholin-4-yl-4-oxo-4-phenylbutanoate

methyl 3-methyl-2-morpholin-4-yl-4-oxo-4-phenylbutanoate (PubChem CID 135015813) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 3-methyl-2-morpholin-4-yl-4-oxo-4-phenylbutanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-morpholin-4-yl-4-oxo-4-phenylbutanoate
PubChem CID135015813
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 3-methyl-2-morpholin-4-yl-4-oxo-4-phenylbutanoate
SMILESCOC(=O)C(C(C)C(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C16H21NO4/c1-12(15(18)13-6-4-3-5-7-13)14(16(19)20-2)17-8-10-21-11-9-17/h3-7,12,14H,8-11H2,1-2H3
InChIKeyNONYIYDREBUIBA-UHFFFAOYSA-N
XLogP1.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-2-morpholin-4-yl-4-oxo-4-phenylbutanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-morpholin-4-yl-4-oxo-4-phenylbutanoate?
The IUPAC name of methyl 3-methyl-2-morpholin-4-yl-4-oxo-4-phenylbutanoate (CID 135015813) is methyl 3-methyl-2-morpholin-4-yl-4-oxo-4-phenylbutanoate.
What is the SMILES notation for methyl 3-methyl-2-morpholin-4-yl-4-oxo-4-phenylbutanoate?
The canonical SMILES for methyl 3-methyl-2-morpholin-4-yl-4-oxo-4-phenylbutanoate is COC(=O)C(C(C)C(=O)c1ccccc1)N1CCOCC1.
What is the InChIKey of methyl 3-methyl-2-morpholin-4-yl-4-oxo-4-phenylbutanoate?
The InChIKey is NONYIYDREBUIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12(15(18)13-6-4-3-5-7-13)14(16(19)20-2)17-8-10-21-11-9-17/h3-7,12,14H,8-11H2,1-2H3.
What are the key properties of methyl 3-methyl-2-morpholin-4-yl-4-oxo-4-phenylbutanoate?
methyl 3-methyl-2-morpholin-4-yl-4-oxo-4-phenylbutanoate has a molecular weight of 291.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-morpholin-4-yl-4-oxo-4-phenylbutanoate is sourced from PubChem (CID 135015813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).