2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate

C18H20N4O4 — CID 14474035

IUPAC2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate
SMILESCCN(CCOC(C)=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H20N4O4/c1-3-21(12-13-26-14(2)23)17-8-4-15(5-9-17)19-20-16-6-10-18(11-7-16)22(24)25/h4-11H,3,12-13H2,1-2H3/b20-19+
InChIKeyANOMGPPKKOCIDI-FMQUCBEESA-N
MW356.38 g/mol
LogP4.40
Rot. Bonds8

About 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate

2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate (PubChem CID 14474035) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate.

Molecular Properties

Compound Name2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate
PubChem CID14474035
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate
SMILESCCN(CCOC(C)=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H20N4O4/c1-3-21(12-13-26-14(2)23)17-8-4-15(5-9-17)19-20-16-6-10-18(11-7-16)22(24)25/h4-11H,3,12-13H2,1-2H3/b20-19+
InChIKeyANOMGPPKKOCIDI-FMQUCBEESA-N
XLogP4.40
TPSA97.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate 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 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate?
The IUPAC name of 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate (CID 14474035) is 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate.
What is the SMILES notation for 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate?
The canonical SMILES for 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate is CCN(CCOC(C)=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate?
The InChIKey is ANOMGPPKKOCIDI-FMQUCBEESA-N. The full InChI is InChI=1S/C18H20N4O4/c1-3-21(12-13-26-14(2)23)17-8-4-15(5-9-17)19-20-16-6-10-18(11-7-16)22(24)25/h4-11H,3,12-13H2,1-2H3/b20-19+.
What are the key properties of 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate?
2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate has a molecular weight of 356.38 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate is sourced from PubChem (CID 14474035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).