4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide

C19H28N4O2 — CID 109381000

IUPAC4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
SMILESCc1nc(C)n(-c2ccc(C(=O)NCC(C)(C)C(O)C(C)C)cc2)n1
InChIInChI=1S/C19H28N4O2/c1-12(2)17(24)19(5,6)11-20-18(25)15-7-9-16(10-8-15)23-14(4)21-13(3)22-23/h7-10,12,17,24H,11H2,1-6H3,(H,20,25)
InChIKeyBRENFAGQMCIXTH-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.66
Rot. Bonds6

About 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide

4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide (PubChem CID 109381000) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
PubChem CID109381000
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
SMILESCc1nc(C)n(-c2ccc(C(=O)NCC(C)(C)C(O)C(C)C)cc2)n1
InChIInChI=1S/C19H28N4O2/c1-12(2)17(24)19(5,6)11-20-18(25)15-7-9-16(10-8-15)23-14(4)21-13(3)22-23/h7-10,12,17,24H,11H2,1-6H3,(H,20,25)
InChIKeyBRENFAGQMCIXTH-UHFFFAOYSA-N
XLogP2.66
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380851
1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 109381099
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 109381223
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide
CID 109381074
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
CID 109381268
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 109381177
3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380870
N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 109380798
1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide
CID 109380792
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109380562
N-(2,5-dimethylphenyl)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzamide
CID 91643530
N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide
CID 109389253

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide?
The IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide (CID 109381000) is 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide?
The canonical SMILES for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide is Cc1nc(C)n(-c2ccc(C(=O)NCC(C)(C)C(O)C(C)C)cc2)n1.
What is the InChIKey of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide?
The InChIKey is BRENFAGQMCIXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-12(2)17(24)19(5,6)11-20-18(25)15-7-9-16(10-8-15)23-14(4)21-13(3)22-23/h7-10,12,17,24H,11H2,1-6H3,(H,20,25).
What are the key properties of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide?
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide has a molecular weight of 344.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide is sourced from PubChem (CID 109381000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).