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

C18H20N4O — CID 806728

IUPACN-[2-(4-ethylphenyl)benzotriazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2nn(-c3ccc(CC)cc3)nc2c1
InChIInChI=1S/C18H20N4O/c1-3-5-18(23)19-14-8-11-16-17(12-14)21-22(20-16)15-9-6-13(4-2)7-10-15/h6-12H,3-5H2,1-2H3,(H,19,23)
InChIKeyHKPDYQSNDOCOQL-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.72
Rot. Bonds5

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

N-[2-(4-ethylphenyl)benzotriazol-5-yl]butanamide (PubChem CID 806728) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)benzotriazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)benzotriazol-5-yl]butanamide
PubChem CID806728
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-[2-(4-ethylphenyl)benzotriazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2nn(-c3ccc(CC)cc3)nc2c1
InChIInChI=1S/C18H20N4O/c1-3-5-18(23)19-14-8-11-16-17(12-14)21-22(20-16)15-9-6-13(4-2)7-10-15/h6-12H,3-5H2,1-2H3,(H,19,23)
InChIKeyHKPDYQSNDOCOQL-UHFFFAOYSA-N
XLogP3.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)benzotriazol-5-yl]butanamide?
The IUPAC name of N-[2-(4-ethylphenyl)benzotriazol-5-yl]butanamide (CID 806728) is N-[2-(4-ethylphenyl)benzotriazol-5-yl]butanamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)benzotriazol-5-yl]butanamide?
The canonical SMILES for N-[2-(4-ethylphenyl)benzotriazol-5-yl]butanamide is CCCC(=O)Nc1ccc2nn(-c3ccc(CC)cc3)nc2c1.
What is the InChIKey of N-[2-(4-ethylphenyl)benzotriazol-5-yl]butanamide?
The InChIKey is HKPDYQSNDOCOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-5-18(23)19-14-8-11-16-17(12-14)21-22(20-16)15-9-6-13(4-2)7-10-15/h6-12H,3-5H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(4-ethylphenyl)benzotriazol-5-yl]butanamide?
N-[2-(4-ethylphenyl)benzotriazol-5-yl]butanamide has a molecular weight of 308.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)benzotriazol-5-yl]butanamide is sourced from PubChem (CID 806728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).