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

C17H18N4O — CID 952244

IUPAC2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)C(C)C)cc3n2)cc1
InChIInChI=1S/C17H18N4O/c1-11(2)17(22)18-13-6-9-15-16(10-13)20-21(19-15)14-7-4-12(3)5-8-14/h4-11H,1-3H3,(H,18,22)
InChIKeyMGSSAGPOFCPNIL-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.32
Rot. Bonds3

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

2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide (PubChem CID 952244) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide
PubChem CID952244
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)C(C)C)cc3n2)cc1
InChIInChI=1S/C17H18N4O/c1-11(2)17(22)18-13-6-9-15-16(10-13)20-21(19-15)14-7-4-12(3)5-8-14/h4-11H,1-3H3,(H,18,22)
InChIKeyMGSSAGPOFCPNIL-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide?
The IUPAC name of 2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide (CID 952244) is 2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide is Cc1ccc(-n2nc3ccc(NC(=O)C(C)C)cc3n2)cc1.
What is the InChIKey of 2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide?
The InChIKey is MGSSAGPOFCPNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11(2)17(22)18-13-6-9-15-16(10-13)20-21(19-15)14-7-4-12(3)5-8-14/h4-11H,1-3H3,(H,18,22).
What are the key properties of 2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide?
2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide has a molecular weight of 294.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]propanamide is sourced from PubChem (CID 952244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).