N-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C19H20N4O2 — CID 78766557

IUPACN-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCCC(C)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C19H20N4O2/c1-3-13(2)14-8-10-15(11-9-14)20-18(24)12-23-19(25)16-6-4-5-7-17(16)21-22-23/h4-11,13H,3,12H2,1-2H3,(H,20,24)
InChIKeyNCWAMXPTWWVCDL-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.94
Rot. Bonds5

About N-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 78766557) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID78766557
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCCC(C)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C19H20N4O2/c1-3-13(2)14-8-10-15(11-9-14)20-18(24)12-23-19(25)16-6-4-5-7-17(16)21-22-23/h4-11,13H,3,12H2,1-2H3,(H,20,24)
InChIKeyNCWAMXPTWWVCDL-UHFFFAOYSA-N
XLogP2.94
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313
N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459
N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 38934566
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2550571
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2714528
N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27055170
N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2110452
N-[1-(4-chlorophenyl)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24600817
N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7529253
N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 71700635
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26465780

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 78766557) is N-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is CCC(C)c1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is NCWAMXPTWWVCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-13(2)14-8-10-15(11-9-14)20-18(24)12-23-19(25)16-6-4-5-7-17(16)21-22-23/h4-11,13H,3,12H2,1-2H3,(H,20,24).
What are the key properties of N-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 78766557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).