3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride

C17H26ClN2O3- — CID 53350774

IUPAC3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride
SMILESCOc1ccc(C)cc1NC(=O)CCN1CC(C)OC(C)C1.[Cl-]
InChIInChI=1S/C17H26N2O3.ClH/c1-12-5-6-16(21-4)15(9-12)18-17(20)7-8-19-10-13(2)22-14(3)11-19;/h5-6,9,13-14H,7-8,10-11H2,1-4H3,(H,18,20);1H/p-1
InChIKeyJLCUMQCAXUGXLN-UHFFFAOYSA-M
MW341.86 g/mol
LogP-0.55
Rot. Bonds5

About 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride

3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride (PubChem CID 53350774) has the molecular formula C17H26ClN2O3- and a molecular weight of 341.86 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride
PubChem CID53350774
Molecular FormulaC17H26ClN2O3-
Molecular Weight341.86 g/mol
Exact Mass341.16
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride
SMILESCOc1ccc(C)cc1NC(=O)CCN1CC(C)OC(C)C1.[Cl-]
InChIInChI=1S/C17H26N2O3.ClH/c1-12-5-6-16(21-4)15(9-12)18-17(20)7-8-19-10-13(2)22-14(3)11-19;/h5-6,9,13-14H,7-8,10-11H2,1-4H3,(H,18,20);1H/p-1
InChIKeyJLCUMQCAXUGXLN-UHFFFAOYSA-M
XLogP-0.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 739992
N-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 51302513
3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide
CID 3236824
N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide
CID 28807979
N-(2,5-dimethoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2653031
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-methylphenyl)propanamide
CID 771759
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N-(5-chloro-2-methoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2088175
3-[(1S,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 91840395
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109031290
(2R,6R)-N-(2-methoxy-5-methylphenyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 971545
N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033774

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride (CID 53350774) is 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride is COc1ccc(C)cc1NC(=O)CCN1CC(C)OC(C)C1.[Cl-].
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride?
The InChIKey is JLCUMQCAXUGXLN-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-12-5-6-16(21-4)15(9-12)18-17(20)7-8-19-10-13(2)22-14(3)11-19;/h5-6,9,13-14H,7-8,10-11H2,1-4H3,(H,18,20);1H/p-1.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride?
3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride has a molecular weight of 341.86 g/mol, XLogP of -0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride is sourced from PubChem (CID 53350774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).