N-cyclohexyl-2-[4-(5-formylfuran-2-yl)phenyl]acetamide

C19H21NO3 — CID 169333438

IUPACN-cyclohexyl-2-[4-(5-formylfuran-2-yl)phenyl]acetamide
SMILESO=Cc1ccc(-c2ccc(CC(=O)NC3CCCCC3)cc2)o1
InChIInChI=1S/C19H21NO3/c21-13-17-10-11-18(23-17)15-8-6-14(7-9-15)12-19(22)20-16-4-2-1-3-5-16/h6-11,13,16H,1-5,12H2,(H,20,22)
InChIKeyXREPAUCCSSNYND-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.75
Rot. Bonds5

About N-cyclohexyl-2-[4-(5-formylfuran-2-yl)phenyl]acetamide

N-cyclohexyl-2-[4-(5-formylfuran-2-yl)phenyl]acetamide (PubChem CID 169333438) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(5-formylfuran-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(5-formylfuran-2-yl)phenyl]acetamide
PubChem CID169333438
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-cyclohexyl-2-[4-(5-formylfuran-2-yl)phenyl]acetamide
SMILESO=Cc1ccc(-c2ccc(CC(=O)NC3CCCCC3)cc2)o1
InChIInChI=1S/C19H21NO3/c21-13-17-10-11-18(23-17)15-8-6-14(7-9-15)12-19(22)20-16-4-2-1-3-5-16/h6-11,13,16H,1-5,12H2,(H,20,22)
InChIKeyXREPAUCCSSNYND-UHFFFAOYSA-N
XLogP3.75
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(5-formylfuran-2-yl)phenyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-(5-formylfuran-2-yl)phenyl]acetamide (CID 169333438) is N-cyclohexyl-2-[4-(5-formylfuran-2-yl)phenyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(5-formylfuran-2-yl)phenyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-(5-formylfuran-2-yl)phenyl]acetamide is O=Cc1ccc(-c2ccc(CC(=O)NC3CCCCC3)cc2)o1.
What is the InChIKey of N-cyclohexyl-2-[4-(5-formylfuran-2-yl)phenyl]acetamide?
The InChIKey is XREPAUCCSSNYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-13-17-10-11-18(23-17)15-8-6-14(7-9-15)12-19(22)20-16-4-2-1-3-5-16/h6-11,13,16H,1-5,12H2,(H,20,22).
What are the key properties of N-cyclohexyl-2-[4-(5-formylfuran-2-yl)phenyl]acetamide?
N-cyclohexyl-2-[4-(5-formylfuran-2-yl)phenyl]acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(5-formylfuran-2-yl)phenyl]acetamide is sourced from PubChem (CID 169333438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).