3-cyano-N-methyl-N-(4-propan-2-ylphenyl)oxetane-3-carboxamide

C15H18N2O2 — CID 115184624

IUPAC3-cyano-N-methyl-N-(4-propan-2-ylphenyl)oxetane-3-carboxamide
SMILESCC(C)c1ccc(N(C)C(=O)C2(C#N)COC2)cc1
InChIInChI=1S/C15H18N2O2/c1-11(2)12-4-6-13(7-5-12)17(3)14(18)15(8-16)9-19-10-15/h4-7,11H,9-10H2,1-3H3
InChIKeyMNYHMZMGWRBGHR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.31
Rot. Bonds3

About 3-cyano-N-methyl-N-(4-propan-2-ylphenyl)oxetane-3-carboxamide

3-cyano-N-methyl-N-(4-propan-2-ylphenyl)oxetane-3-carboxamide (PubChem CID 115184624) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-cyano-N-methyl-N-(4-propan-2-ylphenyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-cyano-N-methyl-N-(4-propan-2-ylphenyl)oxetane-3-carboxamide
PubChem CID115184624
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-cyano-N-methyl-N-(4-propan-2-ylphenyl)oxetane-3-carboxamide
SMILESCC(C)c1ccc(N(C)C(=O)C2(C#N)COC2)cc1
InChIInChI=1S/C15H18N2O2/c1-11(2)12-4-6-13(7-5-12)17(3)14(18)15(8-16)9-19-10-15/h4-7,11H,9-10H2,1-3H3
InChIKeyMNYHMZMGWRBGHR-UHFFFAOYSA-N
XLogP2.31
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyano-N-methyl-N-(4-propan-2-ylphenyl)oxetane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-methyl-N-(4-propan-2-ylphenyl)oxetane-3-carboxamide?
The IUPAC name of 3-cyano-N-methyl-N-(4-propan-2-ylphenyl)oxetane-3-carboxamide (CID 115184624) is 3-cyano-N-methyl-N-(4-propan-2-ylphenyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-cyano-N-methyl-N-(4-propan-2-ylphenyl)oxetane-3-carboxamide?
The canonical SMILES for 3-cyano-N-methyl-N-(4-propan-2-ylphenyl)oxetane-3-carboxamide is CC(C)c1ccc(N(C)C(=O)C2(C#N)COC2)cc1.
What is the InChIKey of 3-cyano-N-methyl-N-(4-propan-2-ylphenyl)oxetane-3-carboxamide?
The InChIKey is MNYHMZMGWRBGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(2)12-4-6-13(7-5-12)17(3)14(18)15(8-16)9-19-10-15/h4-7,11H,9-10H2,1-3H3.
What are the key properties of 3-cyano-N-methyl-N-(4-propan-2-ylphenyl)oxetane-3-carboxamide?
3-cyano-N-methyl-N-(4-propan-2-ylphenyl)oxetane-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.31, 3 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-(4-propan-2-ylphenyl)oxetane-3-carboxamide is sourced from PubChem (CID 115184624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).