N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide

C26H28N4O — CID 2067619

IUPACN-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide
SMILESCCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4C)cc3n2)cc1
InChIInChI=1S/C26H28N4O/c1-5-6-7-20-9-11-21(12-10-20)30-28-24-15-19(4)23(16-25(24)29-30)27-26(31)22-13-8-17(2)14-18(22)3/h8-16H,5-7H2,1-4H3,(H,27,31)
InChIKeyBZLWIZSJPWDYRU-UHFFFAOYSA-N
MW412.54 g/mol
LogP5.94
Rot. Bonds6

About N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide

N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide (PubChem CID 2067619) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide
PubChem CID2067619
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC NameN-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide
SMILESCCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4C)cc3n2)cc1
InChIInChI=1S/C26H28N4O/c1-5-6-7-20-9-11-21(12-10-20)30-28-24-15-19(4)23(16-25(24)29-30)27-26(31)22-13-8-17(2)14-18(22)3/h8-16H,5-7H2,1-4H3,(H,27,31)
InChIKeyBZLWIZSJPWDYRU-UHFFFAOYSA-N
XLogP5.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,2,2-trifluoroacetamide
CID 17334917
2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 3641417
N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-2-methylbenzamide
CID 2957047
N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide
CID 1397277
2-iodo-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 1370817
N-[[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-methylbenzamide
CID 22779110
N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide
CID 17335646
4-ethyl-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17018365
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide
CID 2889295
4-cyano-2-fluoro-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 17131998
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide
CID 1395606
(E)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17318968

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide (CID 2067619) is N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide is CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4C)cc3n2)cc1.
What is the InChIKey of N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide?
The InChIKey is BZLWIZSJPWDYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-5-6-7-20-9-11-21(12-10-20)30-28-24-15-19(4)23(16-25(24)29-30)27-26(31)22-13-8-17(2)14-18(22)3/h8-16H,5-7H2,1-4H3,(H,27,31).
What are the key properties of N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide?
N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide has a molecular weight of 412.54 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2,4-dimethylbenzamide is sourced from PubChem (CID 2067619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).