(3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone

C16H23NO5 — CID 110292317

IUPAC(3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2C(C)COCC2C)cc(OC)c1OC
InChIInChI=1S/C16H23NO5/c1-10-8-22-9-11(2)17(10)16(18)12-6-13(19-3)15(21-5)14(7-12)20-4/h6-7,10-11H,8-9H2,1-5H3
InChIKeyWVXGAUYYTQBTQJ-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.96
Rot. Bonds4

About (3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone

(3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 110292317) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is (3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID110292317
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name(3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2C(C)COCC2C)cc(OC)c1OC
InChIInChI=1S/C16H23NO5/c1-10-8-22-9-11(2)17(10)16(18)12-6-13(19-3)15(21-5)14(7-12)20-4/h6-7,10-11H,8-9H2,1-5H3
InChIKeyWVXGAUYYTQBTQJ-UHFFFAOYSA-N
XLogP1.96
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

thiaziridin-2-yl-(3,4,5-trimethoxyphenyl)methanone
CID 142936854
(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 71752843
N-[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 2973116
(3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119564338
(3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone
CID 110292311
(3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63909017
(4-bromopiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 80656388
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
(3,5-dichlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 55556525
tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736285

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 110292317) is (3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2C(C)COCC2C)cc(OC)c1OC.
What is the InChIKey of (3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is WVXGAUYYTQBTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-10-8-22-9-11(2)17(10)16(18)12-6-13(19-3)15(21-5)14(7-12)20-4/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of (3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
(3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 309.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 110292317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).