N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide

C15H20N4O2 — CID 111483214

IUPACN-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide
SMILESCCC(O)(CC)CNC(=O)c1cccc(-n2cncn2)c1
InChIInChI=1S/C15H20N4O2/c1-3-15(21,4-2)9-17-14(20)12-6-5-7-13(8-12)19-11-16-10-18-19/h5-8,10-11,21H,3-4,9H2,1-2H3,(H,17,20)
InChIKeyUMOUDFATBOFGQR-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.55
Rot. Bonds6

About N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide

N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide (PubChem CID 111483214) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide
PubChem CID111483214
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide
SMILESCCC(O)(CC)CNC(=O)c1cccc(-n2cncn2)c1
InChIInChI=1S/C15H20N4O2/c1-3-15(21,4-2)9-17-14(20)12-6-5-7-13(8-12)19-11-16-10-18-19/h5-8,10-11,21H,3-4,9H2,1-2H3,(H,17,20)
InChIKeyUMOUDFATBOFGQR-UHFFFAOYSA-N
XLogP1.55
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119630093
N-(2-hydroxy-2,5-dimethylhexyl)-3-(1,2,4-triazol-1-yl)benzamide
CID 111485159
N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide
CID 65113690
ethane;3-(1,2,4-triazol-1-yl)benzoic acid
CID 168912092
N-(1-amino-2-methylpropan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119524675
4-methyl-2-[[[3-(1,2,4-triazol-1-yl)benzoyl]amino]methyl]pentanoic acid
CID 119252775
N-[(1-methylsulfonylcyclobutyl)methyl]-3-(1,2,4-triazol-1-yl)benzamide
CID 100628732
3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111483358
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119608584
N-(2,5-dimethylphenyl)-3-(1,2,4-triazol-1-yl)benzamide
CID 99162356
ethyl 5,5-dimethyl-2-[[3-(1,2,4-triazol-1-yl)benzoyl]amino]hex-3-enoate
CID 175584262

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide (CID 111483214) is N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide is CCC(O)(CC)CNC(=O)c1cccc(-n2cncn2)c1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is UMOUDFATBOFGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-15(21,4-2)9-17-14(20)12-6-5-7-13(8-12)19-11-16-10-18-19/h5-8,10-11,21H,3-4,9H2,1-2H3,(H,17,20).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide?
N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 111483214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).