(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone

C21H25NO4 — CID 110327316

IUPAC(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1CC(c2ccccc2)OCC1(C)C
InChIInChI=1S/C21H25NO4/c1-21(2)14-26-18(15-9-6-5-7-10-15)13-22(21)20(23)19-16(24-3)11-8-12-17(19)25-4/h5-12,18H,13-14H2,1-4H3
InChIKeyYNBBHPKZMORDBD-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.70
Rot. Bonds4

About (2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone

(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone (PubChem CID 110327316) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone
PubChem CID110327316
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1CC(c2ccccc2)OCC1(C)C
InChIInChI=1S/C21H25NO4/c1-21(2)14-26-18(15-9-6-5-7-10-15)13-22(21)20(23)19-16(24-3)11-8-12-17(19)25-4/h5-12,18H,13-14H2,1-4H3
InChIKeyYNBBHPKZMORDBD-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-(2,5,5-trimethylmorpholin-4-yl)methanone
CID 112507460
(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
CID 110327302
(3,4-dimethoxyphenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110327523
(2,6-dimethoxyphenyl)-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)methanone
CID 110740794
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one
CID 86883627
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 110327358
4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one
CID 120591420
[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone
CID 110358386
phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate
CID 110327554
(3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110327516
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432693
[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
CID 110327513

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone (CID 110327316) is (2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone is COc1cccc(OC)c1C(=O)N1CC(c2ccccc2)OCC1(C)C.
What is the InChIKey of (2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone?
The InChIKey is YNBBHPKZMORDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-21(2)14-26-18(15-9-6-5-7-10-15)13-22(21)20(23)19-16(24-3)11-8-12-17(19)25-4/h5-12,18H,13-14H2,1-4H3.
What are the key properties of (2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone?
(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone has a molecular weight of 355.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 110327316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).