1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone

C17H25NO3 — CID 82051495

IUPAC1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone
SMILESCc1cc(C(=O)CN2CCOCC2)ccc1OCC(C)C
InChIInChI=1S/C17H25NO3/c1-13(2)12-21-17-5-4-15(10-14(17)3)16(19)11-18-6-8-20-9-7-18/h4-5,10,13H,6-9,11-12H2,1-3H3
InChIKeyGBWUCOFDBHDZGK-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.54
Rot. Bonds6

About 1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone

1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone (PubChem CID 82051495) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone
PubChem CID82051495
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone
SMILESCc1cc(C(=O)CN2CCOCC2)ccc1OCC(C)C
InChIInChI=1S/C17H25NO3/c1-13(2)12-21-17-5-4-15(10-14(17)3)16(19)11-18-6-8-20-9-7-18/h4-5,10,13H,6-9,11-12H2,1-3H3
InChIKeyGBWUCOFDBHDZGK-UHFFFAOYSA-N
XLogP2.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylpiperazin-1-yl)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 93192549
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
4-[3-methyl-4-(2-methylpropoxy)phenyl]-4-oxobutanoic acid
CID 82051476
4-chloro-1-[3-methyl-4-(2-methylpropoxy)phenyl]butan-1-one
CID 82051503
1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone
CID 93194137
2,2,2-trifluoro-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 91656792
2-morpholin-4-yl-1-(2,4,5-trimethylphenyl)ethanone
CID 43219459
2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone
CID 82051417
5-(4-fluorophenyl)-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 3476081
2-(2,6-dimethylmorpholin-4-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82051568
5-(4-ethylphenyl)-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 3787221
(4E,5R)-5-(4-ethylphenyl)-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 41021761

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone (CID 82051495) is 1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone is Cc1cc(C(=O)CN2CCOCC2)ccc1OCC(C)C.
What is the InChIKey of 1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone?
The InChIKey is GBWUCOFDBHDZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(2)12-21-17-5-4-15(10-14(17)3)16(19)11-18-6-8-20-9-7-18/h4-5,10,13H,6-9,11-12H2,1-3H3.
What are the key properties of 1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone?
1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone has a molecular weight of 291.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(2-methylpropoxy)phenyl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 82051495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).