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

C16H24N2O2 — CID 655971

IUPAC3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCN2CC(C)OC(C)C2)c1
InChIInChI=1S/C16H24N2O2/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)
InChIKeyRWLAAXSFFQAGPX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.43
Rot. Bonds4

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

3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide (PubChem CID 655971) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide
PubChem CID655971
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCN2CC(C)OC(C)C2)c1
InChIInChI=1S/C16H24N2O2/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)
InChIKeyRWLAAXSFFQAGPX-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.43
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?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide (CID 655971) is 3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCN2CC(C)OC(C)C2)c1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide?
The InChIKey is RWLAAXSFFQAGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/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).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide?
3-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.43, 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 is sourced from PubChem (CID 655971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).