methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate

C16H21NO4 — CID 78926667

IUPACmethyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)Cc2cc(C)ccc2C)CCO1
InChIInChI=1S/C16H21NO4/c1-11-4-5-12(2)13(8-11)9-15(18)17-6-7-21-14(10-17)16(19)20-3/h4-5,8,14H,6-7,9-10H2,1-3H3
InChIKeyIZKDQJUTISGKDU-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.25
Rot. Bonds3

About methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate

methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate (PubChem CID 78926667) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate
PubChem CID78926667
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)Cc2cc(C)ccc2C)CCO1
InChIInChI=1S/C16H21NO4/c1-11-4-5-12(2)13(8-11)9-15(18)17-6-7-21-14(10-17)16(19)20-3/h4-5,8,14H,6-7,9-10H2,1-3H3
InChIKeyIZKDQJUTISGKDU-UHFFFAOYSA-N
XLogP1.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate 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-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid
CID 62539492
methyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate
CID 122159279
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875
2-(2,5-dimethylphenyl)-1-[2-(2-methoxyethyl)morpholin-4-yl]ethanone
CID 91769226
1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone
CID 81210812
methyl 4-[2-(4-hydroxyphenyl)acetyl]morpholine-2-carboxylate
CID 80706522
methyl 4-[2-(cyclohexen-1-yl)acetyl]morpholine-2-carboxylate
CID 78947765
methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
CID 78926771
methyl 4-[2-(4-cyanophenyl)acetyl]morpholine-2-carboxylate
CID 78926753
methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927184
methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
methyl 4-[4-[2-(2,5-dimethylphenyl)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 110801365

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate (CID 78926667) is methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate is COC(=O)C1CN(C(=O)Cc2cc(C)ccc2C)CCO1.
What is the InChIKey of methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate?
The InChIKey is IZKDQJUTISGKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-4-5-12(2)13(8-11)9-15(18)17-6-7-21-14(10-17)16(19)20-3/h4-5,8,14H,6-7,9-10H2,1-3H3.
What are the key properties of methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate?
methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylate is sourced from PubChem (CID 78926667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).