4-[[4-(2-ethenoxyethoxy)phenyl]diazenyl]-N,N-dimethylaniline

C18H21N3O2 — CID 86080312

IUPAC4-[[4-(2-ethenoxyethoxy)phenyl]diazenyl]-N,N-dimethylaniline
SMILESC=COCCOc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-4-22-13-14-23-18-11-7-16(8-12-18)20-19-15-5-9-17(10-6-15)21(2)3/h4-12H,1,13-14H2,2-3H3/b20-19+
InChIKeyZWIAEFIFCCFGFE-FMQUCBEESA-N
MW311.39 g/mol
LogP4.71
Rot. Bonds8

About 4-[[4-(2-ethenoxyethoxy)phenyl]diazenyl]-N,N-dimethylaniline

4-[[4-(2-ethenoxyethoxy)phenyl]diazenyl]-N,N-dimethylaniline (PubChem CID 86080312) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-[[4-(2-ethenoxyethoxy)phenyl]diazenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(2-ethenoxyethoxy)phenyl]diazenyl]-N,N-dimethylaniline
PubChem CID86080312
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-[[4-(2-ethenoxyethoxy)phenyl]diazenyl]-N,N-dimethylaniline
SMILESC=COCCOc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-4-22-13-14-23-18-11-7-16(8-12-18)20-19-15-5-9-17(10-6-15)21(2)3/h4-12H,1,13-14H2,2-3H3/b20-19+
InChIKeyZWIAEFIFCCFGFE-FMQUCBEESA-N
XLogP4.71
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[[4-(2-ethenoxyethoxy)phenyl]diazenyl]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-ethenoxyethoxy)phenyl]diazenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(2-ethenoxyethoxy)phenyl]diazenyl]-N,N-dimethylaniline (CID 86080312) is 4-[[4-(2-ethenoxyethoxy)phenyl]diazenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(2-ethenoxyethoxy)phenyl]diazenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(2-ethenoxyethoxy)phenyl]diazenyl]-N,N-dimethylaniline is C=COCCOc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-(2-ethenoxyethoxy)phenyl]diazenyl]-N,N-dimethylaniline?
The InChIKey is ZWIAEFIFCCFGFE-FMQUCBEESA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-22-13-14-23-18-11-7-16(8-12-18)20-19-15-5-9-17(10-6-15)21(2)3/h4-12H,1,13-14H2,2-3H3/b20-19+.
What are the key properties of 4-[[4-(2-ethenoxyethoxy)phenyl]diazenyl]-N,N-dimethylaniline?
4-[[4-(2-ethenoxyethoxy)phenyl]diazenyl]-N,N-dimethylaniline has a molecular weight of 311.39 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-ethenoxyethoxy)phenyl]diazenyl]-N,N-dimethylaniline is sourced from PubChem (CID 86080312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).