(2R,6R)-2,6-dimethyl-N-(5-methylhexyl)morpholine-4-carboxamide

C14H28N2O2 — CID 170021214

IUPAC(2R,6R)-2,6-dimethyl-N-(5-methylhexyl)morpholine-4-carboxamide
SMILESCC(C)CCCCNC(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C14H28N2O2/c1-11(2)7-5-6-8-15-14(17)16-9-12(3)18-13(4)10-16/h11-13H,5-10H2,1-4H3,(H,15,17)/t12-,13-/m1/s1
InChIKeyXZMLEUCUZZUGNS-CHWSQXEVSA-N
MW256.39 g/mol
LogP2.63
Rot. Bonds5

About (2R,6R)-2,6-dimethyl-N-(5-methylhexyl)morpholine-4-carboxamide

(2R,6R)-2,6-dimethyl-N-(5-methylhexyl)morpholine-4-carboxamide (PubChem CID 170021214) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-N-(5-methylhexyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-N-(5-methylhexyl)morpholine-4-carboxamide
PubChem CID170021214
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2R,6R)-2,6-dimethyl-N-(5-methylhexyl)morpholine-4-carboxamide
SMILESCC(C)CCCCNC(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C14H28N2O2/c1-11(2)7-5-6-8-15-14(17)16-9-12(3)18-13(4)10-16/h11-13H,5-10H2,1-4H3,(H,15,17)/t12-,13-/m1/s1
InChIKeyXZMLEUCUZZUGNS-CHWSQXEVSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.63
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 (2R,6R)-2,6-dimethyl-N-(5-methylhexyl)morpholine-4-carboxamide?
The IUPAC name of (2R,6R)-2,6-dimethyl-N-(5-methylhexyl)morpholine-4-carboxamide (CID 170021214) is (2R,6R)-2,6-dimethyl-N-(5-methylhexyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-N-(5-methylhexyl)morpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-2,6-dimethyl-N-(5-methylhexyl)morpholine-4-carboxamide is CC(C)CCCCNC(=O)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-N-(5-methylhexyl)morpholine-4-carboxamide?
The InChIKey is XZMLEUCUZZUGNS-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)7-5-6-8-15-14(17)16-9-12(3)18-13(4)10-16/h11-13H,5-10H2,1-4H3,(H,15,17)/t12-,13-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-N-(5-methylhexyl)morpholine-4-carboxamide?
(2R,6R)-2,6-dimethyl-N-(5-methylhexyl)morpholine-4-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-N-(5-methylhexyl)morpholine-4-carboxamide is sourced from PubChem (CID 170021214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).