2-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide

C19H20N4O2 — CID 121349632

IUPAC2-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)Cn2nnc3ccc(C)cc3c2=O)cc1
InChIInChI=1S/C19H20N4O2/c1-12-4-7-15(8-5-12)14(3)20-18(24)11-23-19(25)16-10-13(2)6-9-17(16)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)
InChIKeyMLWZRROZCADIQQ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.29
Rot. Bonds4

About 2-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide

2-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide (PubChem CID 121349632) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide
PubChem CID121349632
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)Cn2nnc3ccc(C)cc3c2=O)cc1
InChIInChI=1S/C19H20N4O2/c1-12-4-7-15(8-5-12)14(3)20-18(24)11-23-19(25)16-10-13(2)6-9-17(16)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)
InChIKeyMLWZRROZCADIQQ-UHFFFAOYSA-N
XLogP2.29
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 121349573
2-(7-methoxy-4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 121349745
2-(8-fluoro-6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 121349717
2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 121349692
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2714528
2-(6-methoxy-4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 121349600
2-(7-methoxy-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 121349557
N-[(1S)-1-(4-methylphenyl)ethyl]-2-[4-oxo-5-(trifluoromethyl)-1,2,3-benzotriazin-3-yl]acetamide
CID 142799012
6-chloro-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one
CID 147196887
7-methyl-3-[(4R)-4-(4-methylphenyl)-2-oxopentyl]-1,2,3-benzotriazin-4-one
CID 149213098
2-(5-methoxy-4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 121349805
N-[(1R)-1-cyclopropylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879308

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide (CID 121349632) is 2-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)Cn2nnc3ccc(C)cc3c2=O)cc1.
What is the InChIKey of 2-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is MLWZRROZCADIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-4-7-15(8-5-12)14(3)20-18(24)11-23-19(25)16-10-13(2)6-9-17(16)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24).
What are the key properties of 2-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide?
2-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 121349632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).