N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide

C17H24N4O2 — CID 111477965

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccccc1Cn1cncn1
InChIInChI=1S/C17H24N4O2/c1-4-13(2)17(3,23)10-19-16(22)15-8-6-5-7-14(15)9-21-12-18-11-20-21/h5-8,11-13,23H,4,9-10H2,1-3H3,(H,19,22)
InChIKeyYWQTYUJHCYOEIC-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.85
Rot. Bonds7

About N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide

N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 111477965) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID111477965
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccccc1Cn1cncn1
InChIInChI=1S/C17H24N4O2/c1-4-13(2)17(3,23)10-19-16(22)15-8-6-5-7-14(15)9-21-12-18-11-20-21/h5-8,11-13,23H,4,9-10H2,1-3H3,(H,19,22)
InChIKeyYWQTYUJHCYOEIC-UHFFFAOYSA-N
XLogP1.85
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[2-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]propanoic acid
CID 119359245
1-(2-hydroxy-2,3-dimethylpentyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 111120887
2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111446636
2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide
CID 109399368
2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 95987001
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 120948225
N-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 119660814
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 98695291
1-(2-fluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)-5-methylpyrazole-4-carboxamide
CID 111446698
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 120890077
N-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
CID 119394078
N-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
CID 119537563

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide (CID 111477965) is N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide is CCC(C)C(C)(O)CNC(=O)c1ccccc1Cn1cncn1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is YWQTYUJHCYOEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-13(2)17(3,23)10-19-16(22)15-8-6-5-7-14(15)9-21-12-18-11-20-21/h5-8,11-13,23H,4,9-10H2,1-3H3,(H,19,22).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide?
N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 316.40 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 111477965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).