N-(4,4,5,5-tetramethylhexyl)morpholine-4-carboxamide

C15H30N2O2 — CID 20706668

IUPACN-(4,4,5,5-tetramethylhexyl)morpholine-4-carboxamide
SMILESCC(C)(C)C(C)(C)CCCNC(=O)N1CCOCC1
InChIInChI=1S/C15H30N2O2/c1-14(2,3)15(4,5)7-6-8-16-13(18)17-9-11-19-12-10-17/h6-12H2,1-5H3,(H,16,18)
InChIKeyRZDFJONPSIQHPQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.88
Rot. Bonds4

About N-(4,4,5,5-tetramethylhexyl)morpholine-4-carboxamide

N-(4,4,5,5-tetramethylhexyl)morpholine-4-carboxamide (PubChem CID 20706668) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(4,4,5,5-tetramethylhexyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4,4,5,5-tetramethylhexyl)morpholine-4-carboxamide
PubChem CID20706668
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-(4,4,5,5-tetramethylhexyl)morpholine-4-carboxamide
SMILESCC(C)(C)C(C)(C)CCCNC(=O)N1CCOCC1
InChIInChI=1S/C15H30N2O2/c1-14(2,3)15(4,5)7-6-8-16-13(18)17-9-11-19-12-10-17/h6-12H2,1-5H3,(H,16,18)
InChIKeyRZDFJONPSIQHPQ-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.88
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-(4,4,5,5-tetramethylhexyl)morpholine-4-carboxamide?
The IUPAC name of N-(4,4,5,5-tetramethylhexyl)morpholine-4-carboxamide (CID 20706668) is N-(4,4,5,5-tetramethylhexyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(4,4,5,5-tetramethylhexyl)morpholine-4-carboxamide?
The canonical SMILES for N-(4,4,5,5-tetramethylhexyl)morpholine-4-carboxamide is CC(C)(C)C(C)(C)CCCNC(=O)N1CCOCC1.
What is the InChIKey of N-(4,4,5,5-tetramethylhexyl)morpholine-4-carboxamide?
The InChIKey is RZDFJONPSIQHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-14(2,3)15(4,5)7-6-8-16-13(18)17-9-11-19-12-10-17/h6-12H2,1-5H3,(H,16,18).
What are the key properties of N-(4,4,5,5-tetramethylhexyl)morpholine-4-carboxamide?
N-(4,4,5,5-tetramethylhexyl)morpholine-4-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,5,5-tetramethylhexyl)morpholine-4-carboxamide is sourced from PubChem (CID 20706668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).