N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]butanamide

C18H20N4O2 — CID 2067299

IUPACN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]butanamide
SMILESCCCC(=O)Nc1cc2nn(-c3ccc(OC)cc3)nc2cc1C
InChIInChI=1S/C18H20N4O2/c1-4-5-18(23)19-15-11-17-16(10-12(15)2)20-22(21-17)13-6-8-14(24-3)9-7-13/h6-11H,4-5H2,1-3H3,(H,19,23)
InChIKeyUHYKFJYKFRJZPW-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.48
Rot. Bonds5

About N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]butanamide

N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]butanamide (PubChem CID 2067299) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]butanamide
PubChem CID2067299
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]butanamide
SMILESCCCC(=O)Nc1cc2nn(-c3ccc(OC)cc3)nc2cc1C
InChIInChI=1S/C18H20N4O2/c1-4-5-18(23)19-15-11-17-16(10-12(15)2)20-22(21-17)13-6-8-14(24-3)9-7-13/h6-11H,4-5H2,1-3H3,(H,19,23)
InChIKeyUHYKFJYKFRJZPW-UHFFFAOYSA-N
XLogP3.48
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]butanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]butanamide (CID 2067299) is N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]butanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]butanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]butanamide is CCCC(=O)Nc1cc2nn(-c3ccc(OC)cc3)nc2cc1C.
What is the InChIKey of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]butanamide?
The InChIKey is UHYKFJYKFRJZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-4-5-18(23)19-15-11-17-16(10-12(15)2)20-22(21-17)13-6-8-14(24-3)9-7-13/h6-11H,4-5H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]butanamide?
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]butanamide has a molecular weight of 324.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]butanamide is sourced from PubChem (CID 2067299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).