[3-(4-tert-butylphenyl)cyclobutyl]-(2,6-dimethylmorpholin-4-yl)methanone

C21H31NO2 — CID 14346638

IUPAC[3-(4-tert-butylphenyl)cyclobutyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CC(c3ccc(C(C)(C)C)cc3)C2)CC(C)O1
InChIInChI=1S/C21H31NO2/c1-14-12-22(13-15(2)24-14)20(23)18-10-17(11-18)16-6-8-19(9-7-16)21(3,4)5/h6-9,14-15,17-18H,10-13H2,1-5H3
InChIKeyBWCRBGMRQMVTMK-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.11
Rot. Bonds2

About [3-(4-tert-butylphenyl)cyclobutyl]-(2,6-dimethylmorpholin-4-yl)methanone

[3-(4-tert-butylphenyl)cyclobutyl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 14346638) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is [3-(4-tert-butylphenyl)cyclobutyl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[3-(4-tert-butylphenyl)cyclobutyl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID14346638
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name[3-(4-tert-butylphenyl)cyclobutyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CC(c3ccc(C(C)(C)C)cc3)C2)CC(C)O1
InChIInChI=1S/C21H31NO2/c1-14-12-22(13-15(2)24-14)20(23)18-10-17(11-18)16-6-8-19(9-7-16)21(3,4)5/h6-9,14-15,17-18H,10-13H2,1-5H3
InChIKeyBWCRBGMRQMVTMK-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide
CID 55832940
(2R)-2-(4-tert-butylphenoxy)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 6554590
(4-tert-butylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934330
cyclopropyl-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369168
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
cyclopentyl-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369056
(2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 17447797
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98555777
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 90513597
(3-aminocyclopentyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958585
cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 124552883
(5S)-5-(4-tert-butylphenyl)-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 31118115

Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylphenyl)cyclobutyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [3-(4-tert-butylphenyl)cyclobutyl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 14346638) is [3-(4-tert-butylphenyl)cyclobutyl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [3-(4-tert-butylphenyl)cyclobutyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [3-(4-tert-butylphenyl)cyclobutyl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)C2CC(c3ccc(C(C)(C)C)cc3)C2)CC(C)O1.
What is the InChIKey of [3-(4-tert-butylphenyl)cyclobutyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is BWCRBGMRQMVTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-14-12-22(13-15(2)24-14)20(23)18-10-17(11-18)16-6-8-19(9-7-16)21(3,4)5/h6-9,14-15,17-18H,10-13H2,1-5H3.
What are the key properties of [3-(4-tert-butylphenyl)cyclobutyl]-(2,6-dimethylmorpholin-4-yl)methanone?
[3-(4-tert-butylphenyl)cyclobutyl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 329.48 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylphenyl)cyclobutyl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 14346638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).