2-(benzotriazol-1-yl)-1-[4-[2-(ethylamino)ethyl]phenyl]ethanone

C18H20N4O — CID 162533712

IUPAC2-(benzotriazol-1-yl)-1-[4-[2-(ethylamino)ethyl]phenyl]ethanone
SMILESCCNCCc1ccc(C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C18H20N4O/c1-2-19-12-11-14-7-9-15(10-8-14)18(23)13-22-17-6-4-3-5-16(17)20-21-22/h3-10,19H,2,11-13H2,1H3
InChIKeyOZZLZXAEGZMAOJ-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.47
Rot. Bonds7

About 2-(benzotriazol-1-yl)-1-[4-[2-(ethylamino)ethyl]phenyl]ethanone

2-(benzotriazol-1-yl)-1-[4-[2-(ethylamino)ethyl]phenyl]ethanone (PubChem CID 162533712) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-[4-[2-(ethylamino)ethyl]phenyl]ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-[4-[2-(ethylamino)ethyl]phenyl]ethanone
PubChem CID162533712
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-(benzotriazol-1-yl)-1-[4-[2-(ethylamino)ethyl]phenyl]ethanone
SMILESCCNCCc1ccc(C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C18H20N4O/c1-2-19-12-11-14-7-9-15(10-8-14)18(23)13-22-17-6-4-3-5-16(17)20-21-22/h3-10,19H,2,11-13H2,1H3
InChIKeyOZZLZXAEGZMAOJ-UHFFFAOYSA-N
XLogP2.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(benzotriazol-1-yl)-1-[4-[2-(ethylamino)ethyl]phenyl]ethanone 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-(benzotriazol-1-yl)-1-[4-[2-(ethylamino)ethyl]phenyl]ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-[4-[2-(ethylamino)ethyl]phenyl]ethanone (CID 162533712) is 2-(benzotriazol-1-yl)-1-[4-[2-(ethylamino)ethyl]phenyl]ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-[4-[2-(ethylamino)ethyl]phenyl]ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-[4-[2-(ethylamino)ethyl]phenyl]ethanone is CCNCCc1ccc(C(=O)Cn2nnc3ccccc32)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-[4-[2-(ethylamino)ethyl]phenyl]ethanone?
The InChIKey is OZZLZXAEGZMAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-19-12-11-14-7-9-15(10-8-14)18(23)13-22-17-6-4-3-5-16(17)20-21-22/h3-10,19H,2,11-13H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-1-[4-[2-(ethylamino)ethyl]phenyl]ethanone?
2-(benzotriazol-1-yl)-1-[4-[2-(ethylamino)ethyl]phenyl]ethanone has a molecular weight of 308.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-[4-[2-(ethylamino)ethyl]phenyl]ethanone is sourced from PubChem (CID 162533712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).