2-[N-[1-(2-methoxyethoxy)ethyl]-4-nitrosoanilino]ethanol

C13H20N2O4 — CID 19098988

IUPAC2-[N-[1-(2-methoxyethoxy)ethyl]-4-nitrosoanilino]ethanol
SMILESCOCCOC(C)N(CCO)c1ccc(N=O)cc1
InChIInChI=1S/C13H20N2O4/c1-11(19-10-9-18-2)15(7-8-16)13-5-3-12(14-17)4-6-13/h3-6,11,16H,7-10H2,1-2H3
InChIKeyCBKASWPRSSCNAE-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.89
Rot. Bonds9

About 2-[N-[1-(2-methoxyethoxy)ethyl]-4-nitrosoanilino]ethanol

2-[N-[1-(2-methoxyethoxy)ethyl]-4-nitrosoanilino]ethanol (PubChem CID 19098988) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[N-[1-(2-methoxyethoxy)ethyl]-4-nitrosoanilino]ethanol.

Molecular Properties

Compound Name2-[N-[1-(2-methoxyethoxy)ethyl]-4-nitrosoanilino]ethanol
PubChem CID19098988
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[N-[1-(2-methoxyethoxy)ethyl]-4-nitrosoanilino]ethanol
SMILESCOCCOC(C)N(CCO)c1ccc(N=O)cc1
InChIInChI=1S/C13H20N2O4/c1-11(19-10-9-18-2)15(7-8-16)13-5-3-12(14-17)4-6-13/h3-6,11,16H,7-10H2,1-2H3
InChIKeyCBKASWPRSSCNAE-UHFFFAOYSA-N
XLogP1.89
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[N-[1-(2-methoxyethoxy)ethyl]-4-nitrosoanilino]ethanol?
The IUPAC name of 2-[N-[1-(2-methoxyethoxy)ethyl]-4-nitrosoanilino]ethanol (CID 19098988) is 2-[N-[1-(2-methoxyethoxy)ethyl]-4-nitrosoanilino]ethanol.
What is the SMILES notation for 2-[N-[1-(2-methoxyethoxy)ethyl]-4-nitrosoanilino]ethanol?
The canonical SMILES for 2-[N-[1-(2-methoxyethoxy)ethyl]-4-nitrosoanilino]ethanol is COCCOC(C)N(CCO)c1ccc(N=O)cc1.
What is the InChIKey of 2-[N-[1-(2-methoxyethoxy)ethyl]-4-nitrosoanilino]ethanol?
The InChIKey is CBKASWPRSSCNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-11(19-10-9-18-2)15(7-8-16)13-5-3-12(14-17)4-6-13/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of 2-[N-[1-(2-methoxyethoxy)ethyl]-4-nitrosoanilino]ethanol?
2-[N-[1-(2-methoxyethoxy)ethyl]-4-nitrosoanilino]ethanol has a molecular weight of 268.31 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[1-(2-methoxyethoxy)ethyl]-4-nitrosoanilino]ethanol is sourced from PubChem (CID 19098988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).