N-octylmorpholine-4-carboxamide

C13H26N2O2 — CID 4626365

IUPACN-octylmorpholine-4-carboxamide
SMILESCCCCCCCCNC(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-2-3-4-5-6-7-8-14-13(16)15-9-11-17-12-10-15/h2-12H2,1H3,(H,14,16)
InChIKeyRKNUIHPWTOTEAJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.39
Rot. Bonds7

About N-octylmorpholine-4-carboxamide

N-octylmorpholine-4-carboxamide (PubChem CID 4626365) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-octylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-octylmorpholine-4-carboxamide
PubChem CID4626365
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-octylmorpholine-4-carboxamide
SMILESCCCCCCCCNC(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-2-3-4-5-6-7-8-14-13(16)15-9-11-17-12-10-15/h2-12H2,1H3,(H,14,16)
InChIKeyRKNUIHPWTOTEAJ-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-octylmorpholine-4-carboxamide?
The IUPAC name of N-octylmorpholine-4-carboxamide (CID 4626365) is N-octylmorpholine-4-carboxamide.
What is the SMILES notation for N-octylmorpholine-4-carboxamide?
The canonical SMILES for N-octylmorpholine-4-carboxamide is CCCCCCCCNC(=O)N1CCOCC1.
What is the InChIKey of N-octylmorpholine-4-carboxamide?
The InChIKey is RKNUIHPWTOTEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-3-4-5-6-7-8-14-13(16)15-9-11-17-12-10-15/h2-12H2,1H3,(H,14,16).
What are the key properties of N-octylmorpholine-4-carboxamide?
N-octylmorpholine-4-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octylmorpholine-4-carboxamide is sourced from PubChem (CID 4626365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).