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

C19H22N4O2 — CID 654480

IUPACN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1cc2nn(-c3ccc(OC)cc3)nc2cc1C
InChIInChI=1S/C19H22N4O2/c1-4-5-6-19(24)20-16-12-18-17(11-13(16)2)21-23(22-18)14-7-9-15(25-3)10-8-14/h7-12H,4-6H2,1-3H3,(H,20,24)
InChIKeyBHSSPHZDHLPGMM-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.87
Rot. Bonds6

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

N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide (PubChem CID 654480) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide
PubChem CID654480
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide
SMILESCCCCC(=O)Nc1cc2nn(-c3ccc(OC)cc3)nc2cc1C
InChIInChI=1S/C19H22N4O2/c1-4-5-6-19(24)20-16-12-18-17(11-13(16)2)21-23(22-18)14-7-9-15(25-3)10-8-14/h7-12H,4-6H2,1-3H3,(H,20,24)
InChIKeyBHSSPHZDHLPGMM-UHFFFAOYSA-N
XLogP3.87
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.87
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]pentanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide (CID 654480) is N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide is CCCCC(=O)Nc1cc2nn(-c3ccc(OC)cc3)nc2cc1C.
What is the InChIKey of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide?
The InChIKey is BHSSPHZDHLPGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-4-5-6-19(24)20-16-12-18-17(11-13(16)2)21-23(22-18)14-7-9-15(25-3)10-8-14/h7-12H,4-6H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide?
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide has a molecular weight of 338.41 g/mol, XLogP of 3.87, 6 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]pentanamide is sourced from PubChem (CID 654480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).