[4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone

C20H23NO3 — CID 894880

IUPAC[4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(OCc2ccc(C(=O)N3CCOCC3)cc2)cc1C
InChIInChI=1S/C20H23NO3/c1-15-3-8-19(13-16(15)2)24-14-17-4-6-18(7-5-17)20(22)21-9-11-23-12-10-21/h3-8,13H,9-12,14H2,1-2H3
InChIKeyLTZBWRICPWOFSY-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.35
Rot. Bonds4

About [4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone

[4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 894880) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
PubChem CID894880
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(OCc2ccc(C(=O)N3CCOCC3)cc2)cc1C
InChIInChI=1S/C20H23NO3/c1-15-3-8-19(13-16(15)2)24-14-17-4-6-18(7-5-17)20(22)21-9-11-23-12-10-21/h3-8,13H,9-12,14H2,1-2H3
InChIKeyLTZBWRICPWOFSY-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

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Related Compounds

1-[[4-[(3,4-dimethylphenoxy)methyl]benzoyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 19581697
4-[(3,4-dimethylphenoxy)methyl]benzoate
CID 4053070
N-[(3,4-dimethylphenoxy)methyl]morpholine-4-carboxamide
CID 108879035
(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110365079
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
[3-[(2,5-dimethylphenyl)methoxy]phenyl]-morpholin-4-ylmethanone
CID 13176465
[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone
CID 87055955
5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide
CID 19451030
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 155991838
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 56921966
(4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone
CID 157370853

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone (CID 894880) is [4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone is Cc1ccc(OCc2ccc(C(=O)N3CCOCC3)cc2)cc1C.
What is the InChIKey of [4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is LTZBWRICPWOFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-3-8-19(13-16(15)2)24-14-17-4-6-18(7-5-17)20(22)21-9-11-23-12-10-21/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of [4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone?
[4-[(3,4-dimethylphenoxy)methyl]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 [4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 894880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).