2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)furan-3-carboxamide

C14H21NO3 — CID 86783488

IUPAC2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)furan-3-carboxamide
SMILESCc1occc1C(=O)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H21NO3/c1-9-10(6-7-17-9)12(16)15-11-8-13(2,3)18-14(11,4)5/h6-7,11H,8H2,1-5H3,(H,15,16)
InChIKeyGYWODTOBZHLXAQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.66
Rot. Bonds2

About 2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)furan-3-carboxamide

2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)furan-3-carboxamide (PubChem CID 86783488) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)furan-3-carboxamide
PubChem CID86783488
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)furan-3-carboxamide
SMILESCc1occc1C(=O)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H21NO3/c1-9-10(6-7-17-9)12(16)15-11-8-13(2,3)18-14(11,4)5/h6-7,11H,8H2,1-5H3,(H,15,16)
InChIKeyGYWODTOBZHLXAQ-UHFFFAOYSA-N
XLogP2.66
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)furan-3-carboxamide (CID 86783488) is 2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)furan-3-carboxamide is Cc1occc1C(=O)NC1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)furan-3-carboxamide?
The InChIKey is GYWODTOBZHLXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-10(6-7-17-9)12(16)15-11-8-13(2,3)18-14(11,4)5/h6-7,11H,8H2,1-5H3,(H,15,16).
What are the key properties of 2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)furan-3-carboxamide?
2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)furan-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)furan-3-carboxamide is sourced from PubChem (CID 86783488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).