4-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide

C16H18N2O2 — CID 47209994

IUPAC4-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
SMILESN#Cc1ccc(C(=O)N(CC2CCOC2)C2CC2)cc1
InChIInChI=1S/C16H18N2O2/c17-9-12-1-3-14(4-2-12)16(19)18(15-5-6-15)10-13-7-8-20-11-13/h1-4,13,15H,5-8,10-11H2
InChIKeyJPZDEPRCOUWPRE-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.20
Rot. Bonds4

About 4-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide

4-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 47209994) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
PubChem CID47209994
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
SMILESN#Cc1ccc(C(=O)N(CC2CCOC2)C2CC2)cc1
InChIInChI=1S/C16H18N2O2/c17-9-12-1-3-14(4-2-12)16(19)18(15-5-6-15)10-13-7-8-20-11-13/h1-4,13,15H,5-8,10-11H2
InChIKeyJPZDEPRCOUWPRE-UHFFFAOYSA-N
XLogP2.20
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 4-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide (CID 47209994) is 4-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 4-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 4-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide is N#Cc1ccc(C(=O)N(CC2CCOC2)C2CC2)cc1.
What is the InChIKey of 4-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is JPZDEPRCOUWPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-9-12-1-3-14(4-2-12)16(19)18(15-5-6-15)10-13-7-8-20-11-13/h1-4,13,15H,5-8,10-11H2.
What are the key properties of 4-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide?
4-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 47209994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).