N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide

C12H17NO3 — CID 115563926

IUPACN-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccco2)CCO1
InChIInChI=1S/C12H17NO3/c1-12(2)8-9(5-7-16-12)13-11(14)10-4-3-6-15-10/h3-4,6,9H,5,7-8H2,1-2H3,(H,13,14)
InChIKeyLLNHFBGPWYQRFB-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.97
Rot. Bonds2

About N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide

N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide (PubChem CID 115563926) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
PubChem CID115563926
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccco2)CCO1
InChIInChI=1S/C12H17NO3/c1-12(2)8-9(5-7-16-12)13-11(14)10-4-3-6-15-10/h3-4,6,9H,5,7-8H2,1-2H3,(H,13,14)
InChIKeyLLNHFBGPWYQRFB-UHFFFAOYSA-N
XLogP1.97
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-N-(2,2-dimethyloxan-4-yl)benzamide
CID 83033483
N-(3,5-dimethylcyclohexyl)furan-2-carboxamide
CID 64722741
N-cyclooctylfuran-2-carboxamide
CID 790432
6-bromo-N-(2,2-dimethyloxan-4-yl)pyridine-2-carboxamide
CID 103890092
N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide
CID 115267746
N-(3-aminocyclobutyl)furan-2-carboxamide
CID 43594882
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide
CID 83039025
N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide
CID 83039941
3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide
CID 83027416
N-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 136517618
N-[(4R)-2,2-dimethyloxan-4-yl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 96544276
2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide
CID 114929283

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide (CID 115563926) is N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide is CC1(C)CC(NC(=O)c2ccco2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide?
The InChIKey is LLNHFBGPWYQRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(2)8-9(5-7-16-12)13-11(14)10-4-3-6-15-10/h3-4,6,9H,5,7-8H2,1-2H3,(H,13,14).
What are the key properties of N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide?
N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide has a molecular weight of 223.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide is sourced from PubChem (CID 115563926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).