N-(2,4,6-trimethylphenyl)oxolane-2-carboxamide

C14H19NO2 — CID 5058797

IUPACN-(2,4,6-trimethylphenyl)oxolane-2-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCCO2)c(C)c1
InChIInChI=1S/C14H19NO2/c1-9-7-10(2)13(11(3)8-9)15-14(16)12-5-4-6-17-12/h7-8,12H,4-6H2,1-3H3,(H,15,16)
InChIKeyGNANZGAOCXOCEI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.73
Rot. Bonds2

About N-(2,4,6-trimethylphenyl)oxolane-2-carboxamide

N-(2,4,6-trimethylphenyl)oxolane-2-carboxamide (PubChem CID 5058797) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2,4,6-trimethylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2,4,6-trimethylphenyl)oxolane-2-carboxamide
PubChem CID5058797
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2,4,6-trimethylphenyl)oxolane-2-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCCO2)c(C)c1
InChIInChI=1S/C14H19NO2/c1-9-7-10(2)13(11(3)8-9)15-14(16)12-5-4-6-17-12/h7-8,12H,4-6H2,1-3H3,(H,15,16)
InChIKeyGNANZGAOCXOCEI-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trimethylphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(2,4,6-trimethylphenyl)oxolane-2-carboxamide (CID 5058797) is N-(2,4,6-trimethylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2,4,6-trimethylphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2,4,6-trimethylphenyl)oxolane-2-carboxamide is Cc1cc(C)c(NC(=O)C2CCCO2)c(C)c1.
What is the InChIKey of N-(2,4,6-trimethylphenyl)oxolane-2-carboxamide?
The InChIKey is GNANZGAOCXOCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-7-10(2)13(11(3)8-9)15-14(16)12-5-4-6-17-12/h7-8,12H,4-6H2,1-3H3,(H,15,16).
What are the key properties of N-(2,4,6-trimethylphenyl)oxolane-2-carboxamide?
N-(2,4,6-trimethylphenyl)oxolane-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trimethylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 5058797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).