N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide

C17H18N4O — CID 5183917

IUPACN-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide
SMILESCCCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C
InChIInChI=1S/C17H18N4O/c1-3-7-17(22)18-14-11-16-15(10-12(14)2)19-21(20-16)13-8-5-4-6-9-13/h4-6,8-11H,3,7H2,1-2H3,(H,18,22)
InChIKeyKAVBPSFKJJPEEJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.47
Rot. Bonds4

About N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide

N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide (PubChem CID 5183917) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide
PubChem CID5183917
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide
SMILESCCCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C
InChIInChI=1S/C17H18N4O/c1-3-7-17(22)18-14-11-16-15(10-12(14)2)19-21(20-16)13-8-5-4-6-9-13/h4-6,8-11H,3,7H2,1-2H3,(H,18,22)
InChIKeyKAVBPSFKJJPEEJ-UHFFFAOYSA-N
XLogP3.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide?
The IUPAC name of N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide (CID 5183917) is N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide.
What is the SMILES notation for N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide?
The canonical SMILES for N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide is CCCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C.
What is the InChIKey of N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide?
The InChIKey is KAVBPSFKJJPEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-7-17(22)18-14-11-16-15(10-12(14)2)19-21(20-16)13-8-5-4-6-9-13/h4-6,8-11H,3,7H2,1-2H3,(H,18,22).
What are the key properties of N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide?
N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide has a molecular weight of 294.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide is sourced from PubChem (CID 5183917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).