[2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone

C19H27NO3 — CID 126802530

IUPAC[2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CCOC(c3ccc(C)cc3C)C2)CCC1
InChIInChI=1S/C19H27NO3/c1-14-5-6-16(15(2)11-14)17-12-20(9-10-23-17)18(21)19(13-22-3)7-4-8-19/h5-6,11,17H,4,7-10,12-13H2,1-3H3
InChIKeyUQKNVDAIZWHBRA-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.02
Rot. Bonds4

About [2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone

[2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone (PubChem CID 126802530) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone
PubChem CID126802530
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CCOC(c3ccc(C)cc3C)C2)CCC1
InChIInChI=1S/C19H27NO3/c1-14-5-6-16(15(2)11-14)17-12-20(9-10-23-17)18(21)19(13-22-3)7-4-8-19/h5-6,11,17H,4,7-10,12-13H2,1-3H3
InChIKeyUQKNVDAIZWHBRA-UHFFFAOYSA-N
XLogP3.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluorophenyl)morpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120615830
1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-3-methoxypropan-2-ol
CID 71869593
(2S)-2-amino-1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 75429794
(2S)-2-amino-1-[2-(2,4-dimethylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 75429793
ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137
2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696262
[1-(methoxymethyl)cyclobutyl]-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70769822
[(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-(3-phenylimidazol-4-yl)methanone
CID 100624504
(2S)-2-(2,4-dimethylphenyl)-4-(3,3,3-trifluoropropyl)morpholine
CID 100629903
methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
CID 79812703
[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 97119464
(1-benzylcyclobutyl)-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128998146

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The IUPAC name of [2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone (CID 126802530) is [2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone.
What is the SMILES notation for [2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The canonical SMILES for [2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone is COCC1(C(=O)N2CCOC(c3ccc(C)cc3C)C2)CCC1.
What is the InChIKey of [2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The InChIKey is UQKNVDAIZWHBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-14-5-6-16(15(2)11-14)17-12-20(9-10-23-17)18(21)19(13-22-3)7-4-8-19/h5-6,11,17H,4,7-10,12-13H2,1-3H3.
What are the key properties of [2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
[2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone has a molecular weight of 317.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone is sourced from PubChem (CID 126802530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).