N-nonan-4-yl-5-oxooxolane-2-carboxamide

C14H25NO3 — CID 139517346

IUPACN-nonan-4-yl-5-oxooxolane-2-carboxamide
SMILESCCCCCC(CCC)NC(=O)C1CCC(=O)O1
InChIInChI=1S/C14H25NO3/c1-3-5-6-8-11(7-4-2)15-14(17)12-9-10-13(16)18-12/h11-12H,3-10H2,1-2H3,(H,15,17)
InChIKeyFJAGCOSDONJOIB-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.56
Rot. Bonds8

About N-nonan-4-yl-5-oxooxolane-2-carboxamide

N-nonan-4-yl-5-oxooxolane-2-carboxamide (PubChem CID 139517346) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-nonan-4-yl-5-oxooxolane-2-carboxamide.

Molecular Properties

Compound NameN-nonan-4-yl-5-oxooxolane-2-carboxamide
PubChem CID139517346
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-nonan-4-yl-5-oxooxolane-2-carboxamide
SMILESCCCCCC(CCC)NC(=O)C1CCC(=O)O1
InChIInChI=1S/C14H25NO3/c1-3-5-6-8-11(7-4-2)15-14(17)12-9-10-13(16)18-12/h11-12H,3-10H2,1-2H3,(H,15,17)
InChIKeyFJAGCOSDONJOIB-UHFFFAOYSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.56
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-nonan-4-yl-5-oxooxolane-2-carboxamide?
The IUPAC name of N-nonan-4-yl-5-oxooxolane-2-carboxamide (CID 139517346) is N-nonan-4-yl-5-oxooxolane-2-carboxamide.
What is the SMILES notation for N-nonan-4-yl-5-oxooxolane-2-carboxamide?
The canonical SMILES for N-nonan-4-yl-5-oxooxolane-2-carboxamide is CCCCCC(CCC)NC(=O)C1CCC(=O)O1.
What is the InChIKey of N-nonan-4-yl-5-oxooxolane-2-carboxamide?
The InChIKey is FJAGCOSDONJOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-5-6-8-11(7-4-2)15-14(17)12-9-10-13(16)18-12/h11-12H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-nonan-4-yl-5-oxooxolane-2-carboxamide?
N-nonan-4-yl-5-oxooxolane-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonan-4-yl-5-oxooxolane-2-carboxamide is sourced from PubChem (CID 139517346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).