2-(benzotriazol-1-yl)-N-phenyl-N-propan-2-ylacetamide

C17H18N4O — CID 888794

IUPAC2-(benzotriazol-1-yl)-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C17H18N4O/c1-13(2)21(14-8-4-3-5-9-14)17(22)12-20-16-11-7-6-10-15(16)18-19-20/h3-11,13H,12H2,1-2H3
InChIKeyIDEQZQJZRKOZIL-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.87
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-phenyl-N-propan-2-ylacetamide

2-(benzotriazol-1-yl)-N-phenyl-N-propan-2-ylacetamide (PubChem CID 888794) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-phenyl-N-propan-2-ylacetamide
PubChem CID888794
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-(benzotriazol-1-yl)-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C17H18N4O/c1-13(2)21(14-8-4-3-5-9-14)17(22)12-20-16-11-7-6-10-15(16)18-19-20/h3-11,13H,12H2,1-2H3
InChIKeyIDEQZQJZRKOZIL-UHFFFAOYSA-N
XLogP2.87
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-phenyl-N-propan-2-ylacetamide (CID 888794) is 2-(benzotriazol-1-yl)-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)Cn1nnc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is IDEQZQJZRKOZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-13(2)21(14-8-4-3-5-9-14)17(22)12-20-16-11-7-6-10-15(16)18-19-20/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-phenyl-N-propan-2-ylacetamide?
2-(benzotriazol-1-yl)-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 294.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 888794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).