4-[2-[benzyl(methyl)amino]acetyl]benzonitrile

C17H16N2O — CID 60679544

IUPAC4-[2-[benzyl(methyl)amino]acetyl]benzonitrile
SMILESCN(CC(=O)c1ccc(C#N)cc1)Cc1ccccc1
InChIInChI=1S/C17H16N2O/c1-19(12-15-5-3-2-4-6-15)13-17(20)16-9-7-14(11-18)8-10-16/h2-10H,12-13H2,1H3
InChIKeyNCDNGRACAUZVRD-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.87
Rot. Bonds5

About 4-[2-[benzyl(methyl)amino]acetyl]benzonitrile

4-[2-[benzyl(methyl)amino]acetyl]benzonitrile (PubChem CID 60679544) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[2-[benzyl(methyl)amino]acetyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[benzyl(methyl)amino]acetyl]benzonitrile
PubChem CID60679544
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-[2-[benzyl(methyl)amino]acetyl]benzonitrile
SMILESCN(CC(=O)c1ccc(C#N)cc1)Cc1ccccc1
InChIInChI=1S/C17H16N2O/c1-19(12-15-5-3-2-4-6-15)13-17(20)16-9-7-14(11-18)8-10-16/h2-10H,12-13H2,1H3
InChIKeyNCDNGRACAUZVRD-UHFFFAOYSA-N
XLogP2.87
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile
CID 62034806
4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile
CID 62051809
4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile
CID 62035950
4-[2-(N-methylanilino)acetyl]benzonitrile
CID 43227448
4-[2-[butyl(methyl)amino]acetyl]benzonitrile
CID 43227818
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972
3-[[[2-(3-fluorophenyl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983081
2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 62035144
3-[[[2-(3-chlorophenyl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983254
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone
CID 10658035
2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone
CID 71497148

Frequently Asked Questions

What is the IUPAC name of 4-[2-[benzyl(methyl)amino]acetyl]benzonitrile?
The IUPAC name of 4-[2-[benzyl(methyl)amino]acetyl]benzonitrile (CID 60679544) is 4-[2-[benzyl(methyl)amino]acetyl]benzonitrile.
What is the SMILES notation for 4-[2-[benzyl(methyl)amino]acetyl]benzonitrile?
The canonical SMILES for 4-[2-[benzyl(methyl)amino]acetyl]benzonitrile is CN(CC(=O)c1ccc(C#N)cc1)Cc1ccccc1.
What is the InChIKey of 4-[2-[benzyl(methyl)amino]acetyl]benzonitrile?
The InChIKey is NCDNGRACAUZVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-19(12-15-5-3-2-4-6-15)13-17(20)16-9-7-14(11-18)8-10-16/h2-10H,12-13H2,1H3.
What are the key properties of 4-[2-[benzyl(methyl)amino]acetyl]benzonitrile?
4-[2-[benzyl(methyl)amino]acetyl]benzonitrile has a molecular weight of 264.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[benzyl(methyl)amino]acetyl]benzonitrile is sourced from PubChem (CID 60679544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).