2-[5-(dimethylamino)-2-nitrosophenoxy]-1-phenylethanone

C16H16N2O3 — CID 122385520

IUPAC2-[5-(dimethylamino)-2-nitrosophenoxy]-1-phenylethanone
SMILESCN(C)c1ccc(N=O)c(OCC(=O)c2ccccc2)c1
InChIInChI=1S/C16H16N2O3/c1-18(2)13-8-9-14(17-20)16(10-13)21-11-15(19)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyNJVIIMJAZTXIRR-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.41
Rot. Bonds6

About 2-[5-(dimethylamino)-2-nitrosophenoxy]-1-phenylethanone

2-[5-(dimethylamino)-2-nitrosophenoxy]-1-phenylethanone (PubChem CID 122385520) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[5-(dimethylamino)-2-nitrosophenoxy]-1-phenylethanone.

Molecular Properties

Compound Name2-[5-(dimethylamino)-2-nitrosophenoxy]-1-phenylethanone
PubChem CID122385520
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-[5-(dimethylamino)-2-nitrosophenoxy]-1-phenylethanone
SMILESCN(C)c1ccc(N=O)c(OCC(=O)c2ccccc2)c1
InChIInChI=1S/C16H16N2O3/c1-18(2)13-8-9-14(17-20)16(10-13)21-11-15(19)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyNJVIIMJAZTXIRR-UHFFFAOYSA-N
XLogP3.41
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylamino)-2-nitrosophenoxy]-1-phenylethanone?
The IUPAC name of 2-[5-(dimethylamino)-2-nitrosophenoxy]-1-phenylethanone (CID 122385520) is 2-[5-(dimethylamino)-2-nitrosophenoxy]-1-phenylethanone.
What is the SMILES notation for 2-[5-(dimethylamino)-2-nitrosophenoxy]-1-phenylethanone?
The canonical SMILES for 2-[5-(dimethylamino)-2-nitrosophenoxy]-1-phenylethanone is CN(C)c1ccc(N=O)c(OCC(=O)c2ccccc2)c1.
What is the InChIKey of 2-[5-(dimethylamino)-2-nitrosophenoxy]-1-phenylethanone?
The InChIKey is NJVIIMJAZTXIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-18(2)13-8-9-14(17-20)16(10-13)21-11-15(19)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3.
What are the key properties of 2-[5-(dimethylamino)-2-nitrosophenoxy]-1-phenylethanone?
2-[5-(dimethylamino)-2-nitrosophenoxy]-1-phenylethanone has a molecular weight of 284.31 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylamino)-2-nitrosophenoxy]-1-phenylethanone is sourced from PubChem (CID 122385520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).