N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide

C17H18N4O — CID 4580516

IUPACN-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide
SMILESCCC(=O)Nc1cc2nn(-c3ccc(C)cc3)nc2cc1C
InChIInChI=1S/C17H18N4O/c1-4-17(22)18-14-10-16-15(9-12(14)3)19-21(20-16)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3,(H,18,22)
InChIKeyXQXAKSOZBHYWDZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.39
Rot. Bonds3

About N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide

N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide (PubChem CID 4580516) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide
PubChem CID4580516
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide
SMILESCCC(=O)Nc1cc2nn(-c3ccc(C)cc3)nc2cc1C
InChIInChI=1S/C17H18N4O/c1-4-17(22)18-14-10-16-15(9-12(14)3)19-21(20-16)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3,(H,18,22)
InChIKeyXQXAKSOZBHYWDZ-UHFFFAOYSA-N
XLogP3.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-amine
CID 736271
N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
CID 738198
2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine
CID 822280
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 737745
2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-amine
CID 783935
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide
CID 738267
N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
CID 807146
2-[4-(diethylamino)phenyl]-6-methyl-2H-1,2,3-benzotriazol-5-amine
CID 886736
N-[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]butanamide
CID 806728
3-(benzotriazol-1-yl)-N-(4-methylphenyl)propanamide
CID 863078
2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide
CID 952244
3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide
CID 1121188

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide?
The IUPAC name of N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide (CID 4580516) is N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide.
What is the SMILES notation for N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide?
The canonical SMILES for N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide is CCC(=O)Nc1cc2nn(-c3ccc(C)cc3)nc2cc1C.
What is the InChIKey of N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide?
The InChIKey is XQXAKSOZBHYWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-4-17(22)18-14-10-16-15(9-12(14)3)19-21(20-16)13-7-5-11(2)6-8-13/h5-10H,4H2,1-3H3,(H,18,22).
What are the key properties of N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide?
N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide has a molecular weight of 294.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]propanamide is sourced from PubChem (CID 4580516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).