ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate

C19H23N3O3 — CID 71344599

IUPACethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate
SMILESCCOC(=O)c1ccc(/N=N/c2ccc(N(CC)CCO)cc2)cc1
InChIInChI=1S/C19H23N3O3/c1-3-22(13-14-23)18-11-9-17(10-12-18)21-20-16-7-5-15(6-8-16)19(24)25-4-2/h5-12,23H,3-4,13-14H2,1-2H3/b21-20+
InChIKeyKJYMVRALWMFNPA-QZQOTICOSA-N
MW341.41 g/mol
LogP4.10
Rot. Bonds8

About ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate

ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate (PubChem CID 71344599) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate
PubChem CID71344599
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate
SMILESCCOC(=O)c1ccc(/N=N/c2ccc(N(CC)CCO)cc2)cc1
InChIInChI=1S/C19H23N3O3/c1-3-22(13-14-23)18-11-9-17(10-12-18)21-20-16-7-5-15(6-8-16)19(24)25-4-2/h5-12,23H,3-4,13-14H2,1-2H3/b21-20+
InChIKeyKJYMVRALWMFNPA-QZQOTICOSA-N
XLogP4.10
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
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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Related Compounds

methyl 4-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
CID 134310378
ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate
CID 10242689
1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216748
2-[N-ethyl-4-[[4-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]sulfanylphenyl]diazenyl]anilino]ethanol
CID 102049909
2-[N-ethyl-4-[[4-(2-methoxyethoxy)phenyl]diazenyl]anilino]ethanol
CID 21022593
ethyl 4-[[4-[[4-(2-hydroxyethylamino)phenyl]diazenyl]phenyl]diazenyl]benzoate
CID 145141087
ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 61145395
tris[2-[4-[(4-cyanophenyl)diazenyl]-N-ethylanilino]ethyl] benzene-1,3,5-tricarboxylate
CID 102471911
methyl 4-[bis(2-hydroxyethyl)amino]benzoate
CID 14650314
4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 60981592
2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol;2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl prop-2-enoate
CID 158565238
ethyl 4-(diethoxyamino)benzoate
CID 22239273

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate?
The IUPAC name of ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate (CID 71344599) is ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate.
What is the SMILES notation for ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate?
The canonical SMILES for ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate is CCOC(=O)c1ccc(/N=N/c2ccc(N(CC)CCO)cc2)cc1.
What is the InChIKey of ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate?
The InChIKey is KJYMVRALWMFNPA-QZQOTICOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-22(13-14-23)18-11-9-17(10-12-18)21-20-16-7-5-15(6-8-16)19(24)25-4-2/h5-12,23H,3-4,13-14H2,1-2H3/b21-20+.
What are the key properties of ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate?
ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate has a molecular weight of 341.41 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzoate is sourced from PubChem (CID 71344599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).