2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide

C17H24N4O — CID 121176641

IUPAC2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
SMILESCc1cc(C)c(C(=O)NC(Cn2nccn2)C(C)C)c(C)c1
InChIInChI=1S/C17H24N4O/c1-11(2)15(10-21-18-6-7-19-21)20-17(22)16-13(4)8-12(3)9-14(16)5/h6-9,11,15H,10H2,1-5H3,(H,20,22)
InChIKeyXZRZVOGUTYSPDR-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.66
Rot. Bonds5

About 2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide

2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide (PubChem CID 121176641) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
PubChem CID121176641
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
SMILESCc1cc(C)c(C(=O)NC(Cn2nccn2)C(C)C)c(C)c1
InChIInChI=1S/C17H24N4O/c1-11(2)15(10-21-18-6-7-19-21)20-17(22)16-13(4)8-12(3)9-14(16)5/h6-9,11,15H,10H2,1-5H3,(H,20,22)
InChIKeyXZRZVOGUTYSPDR-UHFFFAOYSA-N
XLogP2.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176822
5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide
CID 121018993
3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121018999
4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176696
1-[3-methyl-1-(triazol-2-yl)butan-2-yl]-3-phenylurea
CID 121176898
methyl 2-[[3-methyl-1-(triazol-2-yl)butan-2-yl]carbamoyl]benzoate
CID 121176789
5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide
CID 129416601
3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 119101658
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide
CID 129417735
4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176647
N-(3,3-dimethylbutan-2-yl)-2,4,6-trimethylbenzamide
CID 17168159
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-4-thiophen-2-ylbenzamide
CID 129416978

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
The IUPAC name of 2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide (CID 121176641) is 2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide is Cc1cc(C)c(C(=O)NC(Cn2nccn2)C(C)C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
The InChIKey is XZRZVOGUTYSPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(2)15(10-21-18-6-7-19-21)20-17(22)16-13(4)8-12(3)9-14(16)5/h6-9,11,15H,10H2,1-5H3,(H,20,22).
What are the key properties of 2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide has a molecular weight of 300.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide is sourced from PubChem (CID 121176641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).