methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate

C18H25NO4 — CID 25379116

IUPACmethyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate
SMILESCOC(=O)CCC(=O)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C18H25NO4/c1-22-18(21)11-10-17(20)19-12-13-23-16(14-19)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3/t16-/m0/s1
InChIKeyWZJNJOHVNRQELX-INIZCTEOSA-N
MW319.40 g/mol
LogP2.19
Rot. Bonds7

About methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate

methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate (PubChem CID 25379116) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate
PubChem CID25379116
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Namemethyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate
SMILESCOC(=O)CCC(=O)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C18H25NO4/c1-22-18(21)11-10-17(20)19-12-13-23-16(14-19)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3/t16-/m0/s1
InChIKeyWZJNJOHVNRQELX-INIZCTEOSA-N
XLogP2.19
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate 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

1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
3-(1,2-oxazolidin-2-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 42147501
3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 26317752
3-(oxazinan-2-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 25489234
3-(oxazinan-2-yl)-1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 25489229
1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81210940
1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
1-[2-(3-phenylpropyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 45214839
3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one
CID 45242730
3-(3-amino-1H-1,2,4-triazol-5-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 56865446
oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 25292301

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate?
The IUPAC name of methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate (CID 25379116) is methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate.
What is the SMILES notation for methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate?
The canonical SMILES for methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate is COC(=O)CCC(=O)N1CCO[C@@H](CCCc2ccccc2)C1.
What is the InChIKey of methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate?
The InChIKey is WZJNJOHVNRQELX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25NO4/c1-22-18(21)11-10-17(20)19-12-13-23-16(14-19)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3/t16-/m0/s1.
What are the key properties of methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate?
methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate has a molecular weight of 319.40 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate is sourced from PubChem (CID 25379116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).