N-(4-hydroxycyclohexyl)-2,5-dimethylfuran-3-carboxamide

C13H19NO3 — CID 2422759

IUPACN-(4-hydroxycyclohexyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(O)CC2)c(C)o1
InChIInChI=1S/C13H19NO3/c1-8-7-12(9(2)17-8)13(16)14-10-3-5-11(15)6-4-10/h7,10-11,15H,3-6H2,1-2H3,(H,14,16)
InChIKeySKCAEJXDPSUWEV-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.93
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-2,5-dimethylfuran-3-carboxamide

N-(4-hydroxycyclohexyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 2422759) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID2422759
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(4-hydroxycyclohexyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(O)CC2)c(C)o1
InChIInChI=1S/C13H19NO3/c1-8-7-12(9(2)17-8)13(16)14-10-3-5-11(15)6-4-10/h7,10-11,15H,3-6H2,1-2H3,(H,14,16)
InChIKeySKCAEJXDPSUWEV-UHFFFAOYSA-N
XLogP1.93
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2,5-dimethylfuran-3-carboxamide (CID 2422759) is N-(4-hydroxycyclohexyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC2CCC(O)CC2)c(C)o1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is SKCAEJXDPSUWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8-7-12(9(2)17-8)13(16)14-10-3-5-11(15)6-4-10/h7,10-11,15H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxycyclohexyl)-2,5-dimethylfuran-3-carboxamide?
N-(4-hydroxycyclohexyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 2422759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).