2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide

C14H21NO2 — CID 17148782

IUPAC2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(C)CC2)c(C)o1
InChIInChI=1S/C14H21NO2/c1-9-4-6-12(7-5-9)15-14(16)13-8-10(2)17-11(13)3/h8-9,12H,4-7H2,1-3H3,(H,15,16)
InChIKeyHFAIUKJOZOOZPS-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.20
Rot. Bonds2

About 2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide

2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide (PubChem CID 17148782) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide
PubChem CID17148782
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(C)CC2)c(C)o1
InChIInChI=1S/C14H21NO2/c1-9-4-6-12(7-5-9)15-14(16)13-8-10(2)17-11(13)3/h8-9,12H,4-7H2,1-3H3,(H,15,16)
InChIKeyHFAIUKJOZOOZPS-UHFFFAOYSA-N
XLogP3.20
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide (CID 17148782) is 2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide is Cc1cc(C(=O)NC2CCC(C)CC2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide?
The InChIKey is HFAIUKJOZOOZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-4-6-12(7-5-9)15-14(16)13-8-10(2)17-11(13)3/h8-9,12H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide?
2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide is sourced from PubChem (CID 17148782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).