N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]butanamide

C18H20N4O2 — CID 744690

IUPACN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2nn(-c3ccc(OCC)cc3)nc2c1
InChIInChI=1S/C18H20N4O2/c1-3-5-18(23)19-13-6-11-16-17(12-13)21-22(20-16)14-7-9-15(10-8-14)24-4-2/h6-12H,3-5H2,1-2H3,(H,19,23)
InChIKeyCXFYMGHHYYDKOM-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.56
Rot. Bonds6

About N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]butanamide

N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]butanamide (PubChem CID 744690) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]butanamide
PubChem CID744690
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2nn(-c3ccc(OCC)cc3)nc2c1
InChIInChI=1S/C18H20N4O2/c1-3-5-18(23)19-13-6-11-16-17(12-13)21-22(20-16)14-7-9-15(10-8-14)24-4-2/h6-12H,3-5H2,1-2H3,(H,19,23)
InChIKeyCXFYMGHHYYDKOM-UHFFFAOYSA-N
XLogP3.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]butanamide 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 N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]butanamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]butanamide (CID 744690) is N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]butanamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]butanamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]butanamide is CCCC(=O)Nc1ccc2nn(-c3ccc(OCC)cc3)nc2c1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]butanamide?
The InChIKey is CXFYMGHHYYDKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-5-18(23)19-13-6-11-16-17(12-13)21-22(20-16)14-7-9-15(10-8-14)24-4-2/h6-12H,3-5H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]butanamide?
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]butanamide has a molecular weight of 324.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]butanamide is sourced from PubChem (CID 744690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).