1-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-1-ylethanone

C18H21NO2 — CID 18108365

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-1-ylethanone
SMILESCC1CN(C(=O)Cc2cccc3ccccc23)CC(C)O1
InChIInChI=1S/C18H21NO2/c1-13-11-19(12-14(2)21-13)18(20)10-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,13-14H,10-12H2,1-2H3
InChIKeyVAXJTTAEXFZNIM-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.02
Rot. Bonds2

About 1-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-1-ylethanone

1-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-1-ylethanone (PubChem CID 18108365) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-1-ylethanone
PubChem CID18108365
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-1-ylethanone
SMILESCC1CN(C(=O)Cc2cccc3ccccc23)CC(C)O1
InChIInChI=1S/C18H21NO2/c1-13-11-19(12-14(2)21-13)18(20)10-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,13-14H,10-12H2,1-2H3
InChIKeyVAXJTTAEXFZNIM-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-1-ylethanone (CID 18108365) is 1-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-1-ylethanone is CC1CN(C(=O)Cc2cccc3ccccc23)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-1-ylethanone?
The InChIKey is VAXJTTAEXFZNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-11-19(12-14(2)21-13)18(20)10-16-8-5-7-15-6-3-4-9-17(15)16/h3-9,13-14H,10-12H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-1-ylethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-1-ylethanone has a molecular weight of 283.37 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 18108365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).