(3,5-dimethoxyphenyl)-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone

C21H25NO4 — CID 110369071

IUPAC(3,5-dimethoxyphenyl)-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CC(C)OC(c3ccc(C)cc3)C2)c1
InChIInChI=1S/C21H25NO4/c1-14-5-7-16(8-6-14)20-13-22(12-15(2)26-20)21(23)17-9-18(24-3)11-19(10-17)25-4/h5-11,15,20H,12-13H2,1-4H3
InChIKeyCANQKOLVEOQHEB-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.61
Rot. Bonds4

About (3,5-dimethoxyphenyl)-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone

(3,5-dimethoxyphenyl)-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone (PubChem CID 110369071) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone
PubChem CID110369071
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name(3,5-dimethoxyphenyl)-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CC(C)OC(c3ccc(C)cc3)C2)c1
InChIInChI=1S/C21H25NO4/c1-14-5-7-16(8-6-14)20-13-22(12-15(2)26-20)21(23)17-9-18(24-3)11-19(10-17)25-4/h5-11,15,20H,12-13H2,1-4H3
InChIKeyCANQKOLVEOQHEB-UHFFFAOYSA-N
XLogP3.61
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327180
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
(3,5-dimethoxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51710349
cyclopentyl-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369056
3-methyl-1-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]butan-1-one
CID 110369052
(4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369215
4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369123
2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid
CID 122055790
1,3-benzodioxol-5-yl-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369219
2-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
CID 122055413
(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 39910406
(3-bromo-2-hydroxy-5-methylphenyl)-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95034994

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone (CID 110369071) is (3,5-dimethoxyphenyl)-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone is COc1cc(OC)cc(C(=O)N2CC(C)OC(c3ccc(C)cc3)C2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone?
The InChIKey is CANQKOLVEOQHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-14-5-7-16(8-6-14)20-13-22(12-15(2)26-20)21(23)17-9-18(24-3)11-19(10-17)25-4/h5-11,15,20H,12-13H2,1-4H3.
What are the key properties of (3,5-dimethoxyphenyl)-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone?
(3,5-dimethoxyphenyl)-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone has a molecular weight of 355.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[2-methyl-6-(4-methylphenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 110369071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).