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

C19H27NO3 — CID 164632173

IUPAC[(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CCO[C@H](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/t17-/m0/s1
InChIKeyUQKNVDAIZWHBRA-KRWDZBQOSA-N
MW317.43 g/mol
LogP3.02
Rot. Bonds4

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

[(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone (PubChem CID 164632173) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone
PubChem CID164632173
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CCO[C@H](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/t17-/m0/s1
InChIKeyUQKNVDAIZWHBRA-KRWDZBQOSA-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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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The IUPAC name of [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone (CID 164632173) is [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone.
What is the SMILES notation for [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The canonical SMILES for [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone is COCC1(C(=O)N2CCO[C@H](c3ccc(C)cc3C)C2)CCC1.
What is the InChIKey of [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The InChIKey is UQKNVDAIZWHBRA-KRWDZBQOSA-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/t17-/m0/s1.
What are the key properties of [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
[(2R)-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 [(2R)-2-(2,4-dimethylphenyl)morpholin-4-yl]-[1-(methoxymethyl)cyclobutyl]methanone is sourced from PubChem (CID 164632173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).