3-[phenacyl(2-phenylethyl)amino]propanenitrile

C19H20N2O — CID 70464918

IUPAC3-[phenacyl(2-phenylethyl)amino]propanenitrile
SMILESN#CCCN(CCc1ccccc1)CC(=O)c1ccccc1
InChIInChI=1S/C19H20N2O/c20-13-7-14-21(15-12-17-8-3-1-4-9-17)16-19(22)18-10-5-2-6-11-18/h1-6,8-11H,7,12,14-16H2
InChIKeyVWOHIROXRYHKQV-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.33
Rot. Bonds8

About 3-[phenacyl(2-phenylethyl)amino]propanenitrile

3-[phenacyl(2-phenylethyl)amino]propanenitrile (PubChem CID 70464918) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[phenacyl(2-phenylethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[phenacyl(2-phenylethyl)amino]propanenitrile
PubChem CID70464918
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name3-[phenacyl(2-phenylethyl)amino]propanenitrile
SMILESN#CCCN(CCc1ccccc1)CC(=O)c1ccccc1
InChIInChI=1S/C19H20N2O/c20-13-7-14-21(15-12-17-8-3-1-4-9-17)16-19(22)18-10-5-2-6-11-18/h1-6,8-11H,7,12,14-16H2
InChIKeyVWOHIROXRYHKQV-UHFFFAOYSA-N
XLogP3.33
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(phenacyl)amino]propanenitrile
CID 12922240
2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide
CID 14149400
3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile
CID 62050074
3-[[2-(4-iodophenyl)-2-oxoethyl]-(2-methoxyethyl)amino]propanenitrile
CID 63285257
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide
CID 82102572
3-(N-[2-(4-methylphenyl)-2-oxoethyl]anilino)propanenitrile
CID 62050959
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
CID 54790334
CID 88763605
CID 88763605
2-[bis(2-methoxyethyl)amino]-1-phenylethanone
CID 60649797
3-butoxy-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
CID 54790506
3-[ethyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanenitrile
CID 62037455

Frequently Asked Questions

What is the IUPAC name of 3-[phenacyl(2-phenylethyl)amino]propanenitrile?
The IUPAC name of 3-[phenacyl(2-phenylethyl)amino]propanenitrile (CID 70464918) is 3-[phenacyl(2-phenylethyl)amino]propanenitrile.
What is the SMILES notation for 3-[phenacyl(2-phenylethyl)amino]propanenitrile?
The canonical SMILES for 3-[phenacyl(2-phenylethyl)amino]propanenitrile is N#CCCN(CCc1ccccc1)CC(=O)c1ccccc1.
What is the InChIKey of 3-[phenacyl(2-phenylethyl)amino]propanenitrile?
The InChIKey is VWOHIROXRYHKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c20-13-7-14-21(15-12-17-8-3-1-4-9-17)16-19(22)18-10-5-2-6-11-18/h1-6,8-11H,7,12,14-16H2.
What are the key properties of 3-[phenacyl(2-phenylethyl)amino]propanenitrile?
3-[phenacyl(2-phenylethyl)amino]propanenitrile has a molecular weight of 292.38 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[phenacyl(2-phenylethyl)amino]propanenitrile is sourced from PubChem (CID 70464918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).