[3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone

C20H23NO3 — CID 13176465

IUPAC[3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)c(COc2cccc(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C20H23NO3/c1-15-6-7-16(2)18(12-15)14-24-19-5-3-4-17(13-19)20(22)21-8-10-23-11-9-21/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyWZSBRKXFSNMRAA-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.35
Rot. Bonds4

About [3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone

[3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone (PubChem CID 13176465) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone
PubChem CID13176465
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(C)c(COc2cccc(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C20H23NO3/c1-15-6-7-16(2)18(12-15)14-24-19-5-3-4-17(13-19)20(22)21-8-10-23-11-9-21/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyWZSBRKXFSNMRAA-UHFFFAOYSA-N
XLogP3.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone 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-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83952085
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone
CID 34840464
[4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 894880
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495905
[3-(4-methylpyrimidin-2-yl)oxyphenyl]-morpholin-4-ylmethanone
CID 56921253
3-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205535
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
N-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052893
(4-methoxyphenyl)-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46666074
N-[3-(morpholine-4-carbonyl)phenyl]-3-propoxybenzamide
CID 17205539
N-[3-[(2,5-dimethylphenyl)methoxy]phenyl]acetamide
CID 7698442

Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone (CID 13176465) is [3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone is Cc1ccc(C)c(COc2cccc(C(=O)N3CCOCC3)c2)c1.
What is the InChIKey of [3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone?
The InChIKey is WZSBRKXFSNMRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-6-7-16(2)18(12-15)14-24-19-5-3-4-17(13-19)20(22)21-8-10-23-11-9-21/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of [3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone?
[3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone has a molecular weight of 325.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 13176465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).