1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone

C17H20N2O2 — CID 94532818

IUPAC1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone
SMILESC[C@@H]1CN(C(=O)CNc2cccc3ccccc23)CCO1
InChIInChI=1S/C17H20N2O2/c1-13-12-19(9-10-21-13)17(20)11-18-16-8-4-6-14-5-2-3-7-15(14)16/h2-8,13,18H,9-12H2,1H3/t13-/m1/s1
InChIKeyLQOZIIDAECPHHH-CYBMUJFWSA-N
MW284.36 g/mol
LogP2.50
Rot. Bonds3

About 1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone

1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone (PubChem CID 94532818) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone
PubChem CID94532818
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone
SMILESC[C@@H]1CN(C(=O)CNc2cccc3ccccc23)CCO1
InChIInChI=1S/C17H20N2O2/c1-13-12-19(9-10-21-13)17(20)11-18-16-8-4-6-14-5-2-3-7-15(14)16/h2-8,13,18H,9-12H2,1H3/t13-/m1/s1
InChIKeyLQOZIIDAECPHHH-CYBMUJFWSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone?
The IUPAC name of 1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone (CID 94532818) is 1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone.
What is the SMILES notation for 1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone?
The canonical SMILES for 1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone is C[C@@H]1CN(C(=O)CNc2cccc3ccccc23)CCO1.
What is the InChIKey of 1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone?
The InChIKey is LQOZIIDAECPHHH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-12-19(9-10-21-13)17(20)11-18-16-8-4-6-14-5-2-3-7-15(14)16/h2-8,13,18H,9-12H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone?
1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone has a molecular weight of 284.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone is sourced from PubChem (CID 94532818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).