N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide

C16H22N4O2 — CID 99816183

IUPACN-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide
SMILESCC(C)(C)C[C@H](O)CNC(=O)c1cccc(-n2ccnn2)c1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)10-14(21)11-17-15(22)12-5-4-6-13(9-12)20-8-7-18-19-20/h4-9,14,21H,10-11H2,1-3H3,(H,17,22)/t14-/m0/s1
InChIKeyQYCGNLUQWVSINV-AWEZNQCLSA-N
MW302.38 g/mol
LogP1.79
Rot. Bonds5

About N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide

N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide (PubChem CID 99816183) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide
PubChem CID99816183
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide
SMILESCC(C)(C)C[C@H](O)CNC(=O)c1cccc(-n2ccnn2)c1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)10-14(21)11-17-15(22)12-5-4-6-13(9-12)20-8-7-18-19-20/h4-9,14,21H,10-11H2,1-3H3,(H,17,22)/t14-/m0/s1
InChIKeyQYCGNLUQWVSINV-AWEZNQCLSA-N
XLogP1.79
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide
CID 99816184
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide
CID 109478348
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(triazol-1-yl)benzamide
CID 109481241
2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 113237946
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide
CID 111697672
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(triazol-1-yl)benzamide
CID 75389637
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 111423679
3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide
CID 103957156
N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)propyl]-3-(triazol-1-yl)benzamide
CID 97243759
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide
CID 75389703
N-(2-hydroxy-4,4-dimethylpentyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 107155217
N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide
CID 103676431

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide?
The IUPAC name of N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide (CID 99816183) is N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide?
The canonical SMILES for N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide is CC(C)(C)C[C@H](O)CNC(=O)c1cccc(-n2ccnn2)c1.
What is the InChIKey of N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide?
The InChIKey is QYCGNLUQWVSINV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,3)10-14(21)11-17-15(22)12-5-4-6-13(9-12)20-8-7-18-19-20/h4-9,14,21H,10-11H2,1-3H3,(H,17,22)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide?
N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide has a molecular weight of 302.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide is sourced from PubChem (CID 99816183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).