3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide;hydrochloride

C16H25ClN2O2 — CID 6603606

IUPAC3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide;hydrochloride
SMILESCc1cccc(NC(=O)CCN2CC(C)OC(C)C2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12-5-4-6-15(9-12)17-16(19)7-8-18-10-13(2)20-14(3)11-18;/h4-6,9,13-14H,7-8,10-11H2,1-3H3,(H,17,19);1H
InChIKeyHWBBRRUHJCHXCY-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.85
Rot. Bonds4

About 3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide;hydrochloride

3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide;hydrochloride (PubChem CID 6603606) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide;hydrochloride
PubChem CID6603606
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide;hydrochloride
SMILESCc1cccc(NC(=O)CCN2CC(C)OC(C)C2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12-5-4-6-15(9-12)17-16(19)7-8-18-10-13(2)20-14(3)11-18;/h4-6,9,13-14H,7-8,10-11H2,1-3H3,(H,17,19);1H
InChIKeyHWBBRRUHJCHXCY-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide;hydrochloride (CID 6603606) is 3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide;hydrochloride is Cc1cccc(NC(=O)CCN2CC(C)OC(C)C2)c1.Cl.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide;hydrochloride?
The InChIKey is HWBBRRUHJCHXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12-5-4-6-15(9-12)17-16(19)7-8-18-10-13(2)20-14(3)11-18;/h4-6,9,13-14H,7-8,10-11H2,1-3H3,(H,17,19);1H.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide;hydrochloride?
3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 6603606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).