2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one

C18H27NO3 — CID 110369570

IUPAC2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CC(c2ccc(OC)cc2)OCC1C
InChIInChI=1S/C18H27NO3/c1-5-14(6-2)18(20)19-11-17(22-12-13(19)3)15-7-9-16(21-4)10-8-15/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyZOYIBCZFQCCQQN-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.42
Rot. Bonds5

About 2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one

2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one (PubChem CID 110369570) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one
PubChem CID110369570
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CC(c2ccc(OC)cc2)OCC1C
InChIInChI=1S/C18H27NO3/c1-5-14(6-2)18(20)19-11-17(22-12-13(19)3)15-7-9-16(21-4)10-8-15/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyZOYIBCZFQCCQQN-UHFFFAOYSA-N
XLogP3.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369323
1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone
CID 110369629
4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine
CID 110369636
1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone
CID 110369613
(3,5-dimethoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369324
2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one
CID 119769860
(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 124596152
(3S,4S,6R)-6-(4-methoxyphenyl)oxane-3,4-diol
CID 100945532
1-[2-(4-methoxyphenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 110327157
5-methyl-2-(4-methylphenyl)-N-propylmorpholine-4-carboxamide
CID 110369505
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one
CID 110327064
cyclohexyl-[5-methyl-2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369447

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one (CID 110369570) is 2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one is CCC(CC)C(=O)N1CC(c2ccc(OC)cc2)OCC1C.
What is the InChIKey of 2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one?
The InChIKey is ZOYIBCZFQCCQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-5-14(6-2)18(20)19-11-17(22-12-13(19)3)15-7-9-16(21-4)10-8-15/h7-10,13-14,17H,5-6,11-12H2,1-4H3.
What are the key properties of 2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one?
2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one has a molecular weight of 305.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one is sourced from PubChem (CID 110369570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).