N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C19H21N5O2 — CID 17441684

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCN(C)Cc1ccccc1CNC(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C19H21N5O2/c1-23(2)12-15-8-4-3-7-14(15)11-20-18(25)13-24-19(26)16-9-5-6-10-17(16)21-22-24/h3-10H,11-13H2,1-2H3,(H,20,25)
InChIKeyMLAWFZCYLVFRIW-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.17
Rot. Bonds6

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 17441684) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID17441684
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCN(C)Cc1ccccc1CNC(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C19H21N5O2/c1-23(2)12-15-8-4-3-7-14(15)11-20-18(25)13-24-19(26)16-9-5-6-10-17(16)21-22-24/h3-10H,11-13H2,1-2H3,(H,20,25)
InChIKeyMLAWFZCYLVFRIW-UHFFFAOYSA-N
XLogP1.17
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24516361
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-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 36543473
N-(1-ethylpiperidin-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 36813609
N-[(1R)-1-cyclopropylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879308
N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39430248
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24516091
N-[(2S)-2-ethylhexyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879338
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114
N-[(2S)-5-methylhexan-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879393

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 17441684) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is CN(C)Cc1ccccc1CNC(=O)Cn1nnc2ccccc2c1=O.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is MLAWFZCYLVFRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23(2)12-15-8-4-3-7-14(15)11-20-18(25)13-24-19(26)16-9-5-6-10-17(16)21-22-24/h3-10H,11-13H2,1-2H3,(H,20,25).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 17441684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).