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

C18H20N4O — CID 1121659

IUPAC3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide
SMILESCc1cc2nn(-c3ccccc3)nc2cc1NC(=O)CC(C)C
InChIInChI=1S/C18H20N4O/c1-12(2)9-18(23)19-15-11-17-16(10-13(15)3)20-22(21-17)14-7-5-4-6-8-14/h4-8,10-12H,9H2,1-3H3,(H,19,23)
InChIKeyJFJXEIIOFUIINE-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.71
Rot. Bonds4

About 3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide

3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide (PubChem CID 1121659) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide
PubChem CID1121659
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide
SMILESCc1cc2nn(-c3ccccc3)nc2cc1NC(=O)CC(C)C
InChIInChI=1S/C18H20N4O/c1-12(2)9-18(23)19-15-11-17-16(10-13(15)3)20-22(21-17)14-7-5-4-6-8-14/h4-8,10-12H,9H2,1-3H3,(H,19,23)
InChIKeyJFJXEIIOFUIINE-UHFFFAOYSA-N
XLogP3.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide?
The IUPAC name of 3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide (CID 1121659) is 3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide?
The canonical SMILES for 3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide is Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide?
The InChIKey is JFJXEIIOFUIINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12(2)9-18(23)19-15-11-17-16(10-13(15)3)20-22(21-17)14-7-5-4-6-8-14/h4-8,10-12H,9H2,1-3H3,(H,19,23).
What are the key properties of 3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide?
3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide has a molecular weight of 308.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide is sourced from PubChem (CID 1121659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).