2-[N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol

C22H32N4O2 — CID 91719492

IUPAC2-[N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol
SMILESCCN(CCO)c1ccc(/N=N/c2ccc(N(CC)CCO)cc2C)c(C)c1
InChIInChI=1S/C22H32N4O2/c1-5-25(11-13-27)19-7-9-21(17(3)15-19)23-24-22-10-8-20(16-18(22)4)26(6-2)12-14-28/h7-10,15-16,27-28H,5-6,11-14H2,1-4H3/b24-23+
InChIKeyUQACKAULSXYLJH-WCWDXBQESA-N
MW384.52 g/mol
LogP4.36
Rot. Bonds10

About 2-[N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol

2-[N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol (PubChem CID 91719492) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol
PubChem CID91719492
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name2-[N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol
SMILESCCN(CCO)c1ccc(/N=N/c2ccc(N(CC)CCO)cc2C)c(C)c1
InChIInChI=1S/C22H32N4O2/c1-5-25(11-13-27)19-7-9-21(17(3)15-19)23-24-22-10-8-20(16-18(22)4)26(6-2)12-14-28/h7-10,15-16,27-28H,5-6,11-14H2,1-4H3/b24-23+
InChIKeyUQACKAULSXYLJH-WCWDXBQESA-N
XLogP4.36
TPSA71.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol (CID 91719492) is 2-[N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol is CCN(CCO)c1ccc(/N=N/c2ccc(N(CC)CCO)cc2C)c(C)c1.
What is the InChIKey of 2-[N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol?
The InChIKey is UQACKAULSXYLJH-WCWDXBQESA-N. The full InChI is InChI=1S/C22H32N4O2/c1-5-25(11-13-27)19-7-9-21(17(3)15-19)23-24-22-10-8-20(16-18(22)4)26(6-2)12-14-28/h7-10,15-16,27-28H,5-6,11-14H2,1-4H3/b24-23+.
What are the key properties of 2-[N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol?
2-[N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol has a molecular weight of 384.52 g/mol, XLogP of 4.36, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol is sourced from PubChem (CID 91719492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).