4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide

C16H24N2O3 — CID 171572082

IUPAC4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C16H24N2O3/c1-12-9-18(10-13(2)21-12)11-14-5-7-15(8-6-14)16(19)17(3)20-4/h5-8,12-13H,9-11H2,1-4H3/t12-,13+
InChIKeyJKFPZIFNBYWWLN-BETUJISGSA-N
MW292.38 g/mol
LogP1.93
Rot. Bonds4

About 4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide

4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide (PubChem CID 171572082) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide
PubChem CID171572082
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C16H24N2O3/c1-12-9-18(10-13(2)21-12)11-14-5-7-15(8-6-14)16(19)17(3)20-4/h5-8,12-13H,9-11H2,1-4H3/t12-,13+
InChIKeyJKFPZIFNBYWWLN-BETUJISGSA-N
XLogP1.93
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 16061509
CID 16061509
CID 690446
CID 690446
CID 15114
CID 15114
CID 91810840
CID 91810840
CID 2210872
CID 2210872
CID 531931
CID 531931
CID 531951
CID 531951
CID 2164117
CID 2164117
CID 11470407
CID 11470407
CID 163183437
CID 163183437
CID 2200216
CID 2200216
CID 2977005
CID 2977005

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide?
The IUPAC name of 4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide (CID 171572082) is 4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide?
The canonical SMILES for 4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of 4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide?
The InChIKey is JKFPZIFNBYWWLN-BETUJISGSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-9-18(10-13(2)21-12)11-14-5-7-15(8-6-14)16(19)17(3)20-4/h5-8,12-13H,9-11H2,1-4H3/t12-,13+.
What are the key properties of 4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide?
4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 171572082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).