N-octylmorpholine-2-carboxamide

C13H26N2O2 — CID 115567943

IUPACN-octylmorpholine-2-carboxamide
SMILESCCCCCCCCNC(=O)C1CNCCO1
InChIInChI=1S/C13H26N2O2/c1-2-3-4-5-6-7-8-15-13(16)12-11-14-9-10-17-12/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyAHKBETZCTRLZAF-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.45
Rot. Bonds8

About N-octylmorpholine-2-carboxamide

N-octylmorpholine-2-carboxamide (PubChem CID 115567943) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-octylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-octylmorpholine-2-carboxamide
PubChem CID115567943
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-octylmorpholine-2-carboxamide
SMILESCCCCCCCCNC(=O)C1CNCCO1
InChIInChI=1S/C13H26N2O2/c1-2-3-4-5-6-7-8-15-13(16)12-11-14-9-10-17-12/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyAHKBETZCTRLZAF-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119706942
N-(5-piperidin-1-ylpentyl)morpholine-2-carboxamide;dihydrochloride
CID 119885469
1-morpholin-2-yloctan-1-one
CID 70601940
1-morpholin-2-ylhexadecan-1-one
CID 70404670
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide
CID 119858904
N-(3-cyclopentylpropyl)morpholine-2-carboxamide
CID 113266264
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride
CID 119858903
N-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119750312
N-[2-(cyclopropanecarbonylamino)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119687765
(2R)-N-pentyloxolane-2-carboxamide
CID 146504537
N-(3-cyclohexylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119724280
2-(morpholine-2-carbonylamino)ethyl carbamate
CID 83210560

Frequently Asked Questions

What is the IUPAC name of N-octylmorpholine-2-carboxamide?
The IUPAC name of N-octylmorpholine-2-carboxamide (CID 115567943) is N-octylmorpholine-2-carboxamide.
What is the SMILES notation for N-octylmorpholine-2-carboxamide?
The canonical SMILES for N-octylmorpholine-2-carboxamide is CCCCCCCCNC(=O)C1CNCCO1.
What is the InChIKey of N-octylmorpholine-2-carboxamide?
The InChIKey is AHKBETZCTRLZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-3-4-5-6-7-8-15-13(16)12-11-14-9-10-17-12/h12,14H,2-11H2,1H3,(H,15,16).
What are the key properties of N-octylmorpholine-2-carboxamide?
N-octylmorpholine-2-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octylmorpholine-2-carboxamide is sourced from PubChem (CID 115567943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).