2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide

C20H19N3O2 — CID 78808882

IUPAC2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C20H19N3O2/c1-23(13-19(24)22-15-10-11-15)20(25)18-9-5-4-8-17(18)16-7-3-2-6-14(16)12-21/h2-9,15H,10-11,13H2,1H3,(H,22,24)
InChIKeyZJATXQVFYSGWJU-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.58
Rot. Bonds5

About 2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide

2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 78808882) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID78808882
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C20H19N3O2/c1-23(13-19(24)22-15-10-11-15)20(25)18-9-5-4-8-17(18)16-7-3-2-6-14(16)12-21/h2-9,15H,10-11,13H2,1H3,(H,22,24)
InChIKeyZJATXQVFYSGWJU-UHFFFAOYSA-N
XLogP2.58
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 60665697
2-(2-cyanophenyl)-N-cyclopentyl-N-methylbenzamide
CID 51268476
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(N-methylanilino)benzamide
CID 78883691
2-(2-cyanophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]benzamide
CID 55893951
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 107074114
2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 114370914
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 78808757
2-[[2-(cyanomethyl)benzoyl]-methylamino]acetic acid
CID 82179366
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81443007
N-[2-(cyclopropylamino)-2-oxoethyl]-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 107521941
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 7522572
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 47013772

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide (CID 78808882) is 2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)NC1CC1)C(=O)c1ccccc1-c1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is ZJATXQVFYSGWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23(13-19(24)22-15-10-11-15)20(25)18-9-5-4-8-17(18)16-7-3-2-6-14(16)12-21/h2-9,15H,10-11,13H2,1H3,(H,22,24).
What are the key properties of 2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide?
2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 78808882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).