3-(4-tert-butylphenyl)-1-(3,5-dimethylmorpholin-4-yl)propan-1-one

C19H29NO2 — CID 110631164

IUPAC3-(4-tert-butylphenyl)-1-(3,5-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1COCC(C)N1C(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H29NO2/c1-14-12-22-13-15(2)20(14)18(21)11-8-16-6-9-17(10-7-16)19(3,4)5/h6-7,9-10,14-15H,8,11-13H2,1-5H3
InChIKeyMZZLFCAQSPYSCW-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.55
Rot. Bonds3

About 3-(4-tert-butylphenyl)-1-(3,5-dimethylmorpholin-4-yl)propan-1-one

3-(4-tert-butylphenyl)-1-(3,5-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 110631164) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-(3,5-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-(3,5-dimethylmorpholin-4-yl)propan-1-one
PubChem CID110631164
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name3-(4-tert-butylphenyl)-1-(3,5-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1COCC(C)N1C(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H29NO2/c1-14-12-22-13-15(2)20(14)18(21)11-8-16-6-9-17(10-7-16)19(3,4)5/h6-7,9-10,14-15H,8,11-13H2,1-5H3
InChIKeyMZZLFCAQSPYSCW-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone
CID 124694893
3-(4-tert-butylphenyl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
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3-(4-tert-butylphenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561168
1-(3,5-dimethylmorpholin-4-yl)-2-(4-methoxyphenyl)ethanone
CID 110292319
3-(4-methoxyphenyl)-1-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 95985961
3-(4-tert-butylphenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 112537676
3-(4-fluorophenyl)-1-(3-methylmorpholin-4-yl)propan-1-one
CID 110631026
(3aS,7aS)-2-[3-(4-tert-butylphenyl)propanoyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120627562
1-[(3R,5S)-3,5-dimethylmorpholin-4-yl]propan-1-one
CID 118219644
3-(4-tert-butylphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119543706
3-(4-tert-butylphenyl)-1-[4-(3-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110422541
3-(4-tert-butylphenyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-(3,5-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-(4-tert-butylphenyl)-1-(3,5-dimethylmorpholin-4-yl)propan-1-one (CID 110631164) is 3-(4-tert-butylphenyl)-1-(3,5-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-(3,5-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-(3,5-dimethylmorpholin-4-yl)propan-1-one is CC1COCC(C)N1C(=O)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-(3,5-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is MZZLFCAQSPYSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-14-12-22-13-15(2)20(14)18(21)11-8-16-6-9-17(10-7-16)19(3,4)5/h6-7,9-10,14-15H,8,11-13H2,1-5H3.
What are the key properties of 3-(4-tert-butylphenyl)-1-(3,5-dimethylmorpholin-4-yl)propan-1-one?
3-(4-tert-butylphenyl)-1-(3,5-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 303.45 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-(3,5-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 110631164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).