2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone

C15H21NO4 — CID 110770037

IUPAC2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone
SMILESCOc1cc(C)c(CC(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C15H21NO4/c1-11-8-13(18-2)14(19-3)9-12(11)10-15(17)16-4-6-20-7-5-16/h8-9H,4-7,10H2,1-3H3
InChIKeyPDMHDERHLDAUEZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.41
Rot. Bonds4

About 2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone

2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone (PubChem CID 110770037) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone
PubChem CID110770037
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone
SMILESCOc1cc(C)c(CC(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C15H21NO4/c1-11-8-13(18-2)14(19-3)9-12(11)10-15(17)16-4-6-20-7-5-16/h8-9H,4-7,10H2,1-3H3
InChIKeyPDMHDERHLDAUEZ-UHFFFAOYSA-N
XLogP1.41
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-2,5-dimethylphenyl)-1-morpholin-4-ylethanone
CID 110767973
1-[4-[2-(4,5-dimethoxy-2-methylphenyl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110805906
2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 60700942
N,N-diethyl-4,5-dimethoxy-2-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 12650122
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 110809430
2-(4-chloro-2-methylphenyl)-1-morpholin-4-ylethanone
CID 67968225
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,5-dimethylphenyl)ethanone
CID 110800534
1-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]piperidin-4-one
CID 98019302
4,5-dimethoxy-2-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonyl chloride
CID 46741506
1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone
CID 110769594
4-methoxy-2,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 110712416
2-chloro-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 4962199

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone (CID 110770037) is 2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone is COc1cc(C)c(CC(=O)N2CCOCC2)cc1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone?
The InChIKey is PDMHDERHLDAUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-8-13(18-2)14(19-3)9-12(11)10-15(17)16-4-6-20-7-5-16/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone?
2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone has a molecular weight of 279.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 110770037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).