3-cyano-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide

C16H20N2O2 — CID 56740286

IUPAC3-cyano-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide
SMILESCN(CCCC1CCCO1)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C16H20N2O2/c1-18(9-3-7-15-8-4-10-20-15)16(19)14-6-2-5-13(11-14)12-17/h2,5-6,11,15H,3-4,7-10H2,1H3
InChIKeyVBEMZZMVJIPZIM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.59
Rot. Bonds5

About 3-cyano-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide

3-cyano-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide (PubChem CID 56740286) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-cyano-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide
PubChem CID56740286
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-cyano-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide
SMILESCN(CCCC1CCCO1)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C16H20N2O2/c1-18(9-3-7-15-8-4-10-20-15)16(19)14-6-2-5-13(11-14)12-17/h2,5-6,11,15H,3-4,7-10H2,1H3
InChIKeyVBEMZZMVJIPZIM-UHFFFAOYSA-N
XLogP2.59
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide?
The IUPAC name of 3-cyano-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide (CID 56740286) is 3-cyano-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide.
What is the SMILES notation for 3-cyano-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide?
The canonical SMILES for 3-cyano-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide is CN(CCCC1CCCO1)C(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide?
The InChIKey is VBEMZZMVJIPZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(9-3-7-15-8-4-10-20-15)16(19)14-6-2-5-13(11-14)12-17/h2,5-6,11,15H,3-4,7-10H2,1H3.
What are the key properties of 3-cyano-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide?
3-cyano-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide has a molecular weight of 272.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide is sourced from PubChem (CID 56740286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).