[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate

C19H18N2O3 — CID 30557430

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1ccccc1CC#N
InChIInChI=1S/C19H18N2O3/c1-21(13-15-7-3-2-4-8-15)18(22)14-24-19(23)17-10-6-5-9-16(17)11-12-20/h2-10H,11,13-14H2,1H3
InChIKeyRNDOGVAKMXILSU-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.57
Rot. Bonds6

About [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate (PubChem CID 30557430) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate
PubChem CID30557430
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1ccccc1CC#N
InChIInChI=1S/C19H18N2O3/c1-21(13-15-7-3-2-4-8-15)18(22)14-24-19(23)17-10-6-5-9-16(17)11-12-20/h2-10H,11,13-14H2,1H3
InChIKeyRNDOGVAKMXILSU-UHFFFAOYSA-N
XLogP2.57
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate 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

[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 7522796
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7953704
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 18080618
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7671181
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
CID 2367031
[2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544093
[2-[benzyl(methyl)amino]-2-oxoethyl] propanoate
CID 57155799
2-O-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505379
2-O-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504869
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate
CID 46790237
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 46648948

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate (CID 30557430) is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate is CN(Cc1ccccc1)C(=O)COC(=O)c1ccccc1CC#N.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate?
The InChIKey is RNDOGVAKMXILSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-21(13-15-7-3-2-4-8-15)18(22)14-24-19(23)17-10-6-5-9-16(17)11-12-20/h2-10H,11,13-14H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate has a molecular weight of 322.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate is sourced from PubChem (CID 30557430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).