2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide

C15H18N2O2 — CID 82737962

IUPAC2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide
SMILESCN(C(=O)C(C#N)Cc1ccccc1)C1CCOC1
InChIInChI=1S/C15H18N2O2/c1-17(14-7-8-19-11-14)15(18)13(10-16)9-12-5-3-2-4-6-12/h2-6,13-14H,7-9,11H2,1H3
InChIKeyVPODUMATUBBRLB-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.62
Rot. Bonds4

About 2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide

2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide (PubChem CID 82737962) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide
PubChem CID82737962
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide
SMILESCN(C(=O)C(C#N)Cc1ccccc1)C1CCOC1
InChIInChI=1S/C15H18N2O2/c1-17(14-7-8-19-11-14)15(18)13(10-16)9-12-5-3-2-4-6-12/h2-6,13-14H,7-9,11H2,1H3
InChIKeyVPODUMATUBBRLB-UHFFFAOYSA-N
XLogP1.62
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide?
The IUPAC name of 2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide (CID 82737962) is 2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide?
The canonical SMILES for 2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide is CN(C(=O)C(C#N)Cc1ccccc1)C1CCOC1.
What is the InChIKey of 2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide?
The InChIKey is VPODUMATUBBRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17(14-7-8-19-11-14)15(18)13(10-16)9-12-5-3-2-4-6-12/h2-6,13-14H,7-9,11H2,1H3.
What are the key properties of 2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide?
2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 82737962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).