N-(2-cyanoethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenylacetamide

C18H15N5O2 — CID 38934561

IUPACN-(2-cyanoethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenylacetamide
SMILESN#CCCN(C(=O)Cn1nnc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C18H15N5O2/c19-11-6-12-22(14-7-2-1-3-8-14)17(24)13-23-18(25)15-9-4-5-10-16(15)20-21-23/h1-5,7-10H,6,12-13H2
InChIKeyHBFSIQFVSGHIMP-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.74
Rot. Bonds5

About N-(2-cyanoethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenylacetamide

N-(2-cyanoethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenylacetamide (PubChem CID 38934561) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenylacetamide
PubChem CID38934561
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-(2-cyanoethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenylacetamide
SMILESN#CCCN(C(=O)Cn1nnc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C18H15N5O2/c19-11-6-12-22(14-7-2-1-3-8-14)17(24)13-23-18(25)15-9-4-5-10-16(15)20-21-23/h1-5,7-10H,6,12-13H2
InChIKeyHBFSIQFVSGHIMP-UHFFFAOYSA-N
XLogP1.74
TPSA91.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2-cyanoethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 38934639
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 47090731
3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide
CID 36609911
N-(2-cyanoethyl)-2-[3-[2-[di(propan-2-yl)amino]ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 16541317
N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide
CID 84601919
N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-phenylacetamide
CID 6409017
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
N-(2-cyanoethyl)-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide
CID 2116332
2-[carboxymethyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]acetic acid
CID 63645780
N-(2-cyanoethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 2419879
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
(Z)-3-amino-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]but-2-enenitrile
CID 98666753

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenylacetamide (CID 38934561) is N-(2-cyanoethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenylacetamide is N#CCCN(C(=O)Cn1nnc2ccccc2c1=O)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenylacetamide?
The InChIKey is HBFSIQFVSGHIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c19-11-6-12-22(14-7-2-1-3-8-14)17(24)13-23-18(25)15-9-4-5-10-16(15)20-21-23/h1-5,7-10H,6,12-13H2.
What are the key properties of N-(2-cyanoethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenylacetamide?
N-(2-cyanoethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenylacetamide has a molecular weight of 333.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenylacetamide is sourced from PubChem (CID 38934561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).