N-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C19H20N4O3 — CID 24533415

IUPACN-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCc1cccc(OCCCNC(=O)Cn2nnc3ccccc3c2=O)c1
InChIInChI=1S/C19H20N4O3/c1-14-6-4-7-15(12-14)26-11-5-10-20-18(24)13-23-19(25)16-8-2-3-9-17(16)21-22-23/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,24)
InChIKeyJLSDCJLRAIKQID-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.69
Rot. Bonds7

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

N-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 24533415) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID24533415
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCc1cccc(OCCCNC(=O)Cn2nnc3ccccc3c2=O)c1
InChIInChI=1S/C19H20N4O3/c1-14-6-4-7-15(12-14)26-11-5-10-20-18(24)13-23-19(25)16-8-2-3-9-17(16)21-22-23/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,24)
InChIKeyJLSDCJLRAIKQID-UHFFFAOYSA-N
XLogP1.69
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9204419
N-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 23610251
3-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-1,2,3-benzotriazin-4-one
CID 26003668
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 37062714
2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 71968867
N-[3-(3-methylphenoxy)propyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 112842061
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 35410706
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-(2-methylpropyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2110452
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
N-[3-(3-methylphenoxy)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31339031

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 24533415) is N-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is Cc1cccc(OCCCNC(=O)Cn2nnc3ccccc3c2=O)c1.
What is the InChIKey of N-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is JLSDCJLRAIKQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-14-6-4-7-15(12-14)26-11-5-10-20-18(24)13-23-19(25)16-8-2-3-9-17(16)21-22-23/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,24).
What are the key properties of N-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 24533415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).