N-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C19H18N4O4 — CID 23610251

IUPACN-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCC(=O)c1ccc(OCCNC(=O)Cn2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C19H18N4O4/c1-13(24)14-6-8-15(9-7-14)27-11-10-20-18(25)12-23-19(26)16-4-2-3-5-17(16)21-22-23/h2-9H,10-12H2,1H3,(H,20,25)
InChIKeyMTXGSIBFWBATEC-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.19
Rot. Bonds7

About N-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 23610251) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID23610251
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCC(=O)c1ccc(OCCNC(=O)Cn2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C19H18N4O4/c1-13(24)14-6-8-15(9-7-14)27-11-10-20-18(25)12-23-19(26)16-4-2-3-5-17(16)21-22-23/h2-9H,10-12H2,1H3,(H,20,25)
InChIKeyMTXGSIBFWBATEC-UHFFFAOYSA-N
XLogP1.19
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24533415
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 46461924
N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2110452
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 26818935
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 27796048
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 55474860
3-[2-(4-methoxyphenoxy)ethyl]-1,2,3-benzotriazin-4-one
CID 2714405
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 35410706
N-(5-methylhexan-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 78812534

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 23610251) is N-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is CC(=O)c1ccc(OCCNC(=O)Cn2nnc3ccccc3c2=O)cc1.
What is the InChIKey of N-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is MTXGSIBFWBATEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-13(24)14-6-8-15(9-7-14)27-11-10-20-18(25)12-23-19(26)16-4-2-3-5-17(16)21-22-23/h2-9H,10-12H2,1H3,(H,20,25).
What are the key properties of N-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 366.38 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 23610251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).