N-[1-(5-oxo-2H-furan-4-yl)tridecyl]acetamide

C19H33NO3 — CID 19019891

IUPACN-[1-(5-oxo-2H-furan-4-yl)tridecyl]acetamide
SMILESCCCCCCCCCCCCC(NC(C)=O)C1=CCOC1=O
InChIInChI=1S/C19H33NO3/c1-3-4-5-6-7-8-9-10-11-12-13-18(20-16(2)21)17-14-15-23-19(17)22/h14,18H,3-13,15H2,1-2H3,(H,20,21)
InChIKeyDASMIMDJDIUEBA-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.29
Rot. Bonds13

About N-[1-(5-oxo-2H-furan-4-yl)tridecyl]acetamide

N-[1-(5-oxo-2H-furan-4-yl)tridecyl]acetamide (PubChem CID 19019891) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-[1-(5-oxo-2H-furan-4-yl)tridecyl]acetamide.

Molecular Properties

Compound NameN-[1-(5-oxo-2H-furan-4-yl)tridecyl]acetamide
PubChem CID19019891
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC NameN-[1-(5-oxo-2H-furan-4-yl)tridecyl]acetamide
SMILESCCCCCCCCCCCCC(NC(C)=O)C1=CCOC1=O
InChIInChI=1S/C19H33NO3/c1-3-4-5-6-7-8-9-10-11-12-13-18(20-16(2)21)17-14-15-23-19(17)22/h14,18H,3-13,15H2,1-2H3,(H,20,21)
InChIKeyDASMIMDJDIUEBA-UHFFFAOYSA-N
XLogP4.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-oxo-2H-furan-4-yl)tridecyl]acetamide?
The IUPAC name of N-[1-(5-oxo-2H-furan-4-yl)tridecyl]acetamide (CID 19019891) is N-[1-(5-oxo-2H-furan-4-yl)tridecyl]acetamide.
What is the SMILES notation for N-[1-(5-oxo-2H-furan-4-yl)tridecyl]acetamide?
The canonical SMILES for N-[1-(5-oxo-2H-furan-4-yl)tridecyl]acetamide is CCCCCCCCCCCCC(NC(C)=O)C1=CCOC1=O.
What is the InChIKey of N-[1-(5-oxo-2H-furan-4-yl)tridecyl]acetamide?
The InChIKey is DASMIMDJDIUEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-3-4-5-6-7-8-9-10-11-12-13-18(20-16(2)21)17-14-15-23-19(17)22/h14,18H,3-13,15H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(5-oxo-2H-furan-4-yl)tridecyl]acetamide?
N-[1-(5-oxo-2H-furan-4-yl)tridecyl]acetamide has a molecular weight of 323.48 g/mol, XLogP of 4.29, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-oxo-2H-furan-4-yl)tridecyl]acetamide is sourced from PubChem (CID 19019891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).