N-(2-benzyl-3-hydroxy-2-methylbutyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C21H24N4O3 — CID 91652874

IUPACN-(2-benzyl-3-hydroxy-2-methylbutyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCC(O)C(C)(CNC(=O)Cn1nnc2ccccc2c1=O)Cc1ccccc1
InChIInChI=1S/C21H24N4O3/c1-15(26)21(2,12-16-8-4-3-5-9-16)14-22-19(27)13-25-20(28)17-10-6-7-11-18(17)23-24-25/h3-11,15,26H,12-14H2,1-2H3,(H,22,27)
InChIKeyBJKIBFKWGQBTPA-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.54
Rot. Bonds7

About N-(2-benzyl-3-hydroxy-2-methylbutyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-(2-benzyl-3-hydroxy-2-methylbutyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 91652874) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(2-benzyl-3-hydroxy-2-methylbutyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzyl-3-hydroxy-2-methylbutyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID91652874
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(2-benzyl-3-hydroxy-2-methylbutyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCC(O)C(C)(CNC(=O)Cn1nnc2ccccc2c1=O)Cc1ccccc1
InChIInChI=1S/C21H24N4O3/c1-15(26)21(2,12-16-8-4-3-5-9-16)14-22-19(27)13-25-20(28)17-10-6-7-11-18(17)23-24-25/h3-11,15,26H,12-14H2,1-2H3,(H,22,27)
InChIKeyBJKIBFKWGQBTPA-UHFFFAOYSA-N
XLogP1.54
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2110452
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2714528
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 27796048
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
N-[(1R)-1-cyclopropylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879308
N-[(2S)-5-methylhexan-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879393
N-(5-methylhexan-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 78812534
1-[2-[(2-benzyl-3-hydroxy-2-methylbutyl)amino]-2-oxoethyl]indole-3-carboxamide
CID 146090489
N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24516361
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-3-hydroxy-2-methylbutyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-(2-benzyl-3-hydroxy-2-methylbutyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 91652874) is N-(2-benzyl-3-hydroxy-2-methylbutyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-(2-benzyl-3-hydroxy-2-methylbutyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-(2-benzyl-3-hydroxy-2-methylbutyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is CC(O)C(C)(CNC(=O)Cn1nnc2ccccc2c1=O)Cc1ccccc1.
What is the InChIKey of N-(2-benzyl-3-hydroxy-2-methylbutyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is BJKIBFKWGQBTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15(26)21(2,12-16-8-4-3-5-9-16)14-22-19(27)13-25-20(28)17-10-6-7-11-18(17)23-24-25/h3-11,15,26H,12-14H2,1-2H3,(H,22,27).
What are the key properties of N-(2-benzyl-3-hydroxy-2-methylbutyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-(2-benzyl-3-hydroxy-2-methylbutyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 380.45 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-3-hydroxy-2-methylbutyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 91652874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).