2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone

C21H25NO4 — CID 92757449

IUPAC2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCO[C@H](COc3ccc(C)cc3)C2)cc1
InChIInChI=1S/C21H25NO4/c1-16-3-7-18(8-4-16)25-14-20-13-22(11-12-24-20)21(23)15-26-19-9-5-17(2)6-10-19/h3-10,20H,11-15H2,1-2H3/t20-/m0/s1
InChIKeyFFHSIXKUQJURJM-FQEVSTJZSA-N
MW355.43 g/mol
LogP2.99
Rot. Bonds6

About 2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone

2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone (PubChem CID 92757449) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
PubChem CID92757449
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCO[C@H](COc3ccc(C)cc3)C2)cc1
InChIInChI=1S/C21H25NO4/c1-16-3-7-18(8-4-16)25-14-20-13-22(11-12-24-20)21(23)15-26-19-9-5-17(2)6-10-19/h3-10,20H,11-15H2,1-2H3/t20-/m0/s1
InChIKeyFFHSIXKUQJURJM-FQEVSTJZSA-N
XLogP2.99
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone 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

2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 129316369
[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 46041087
2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81205392
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
(3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
CID 46100398
2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134838
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-methylphenoxy)ethanone
CID 110364025
1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 42252620
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
(6-bromo-2-pyridinyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
CID 46100358
2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone
CID 46100167
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone (CID 92757449) is 2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone is Cc1ccc(OCC(=O)N2CCO[C@H](COc3ccc(C)cc3)C2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone?
The InChIKey is FFHSIXKUQJURJM-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25NO4/c1-16-3-7-18(8-4-16)25-14-20-13-22(11-12-24-20)21(23)15-26-19-9-5-17(2)6-10-19/h3-10,20H,11-15H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone?
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone has a molecular weight of 355.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 92757449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).