(2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide

C14H28N2O3 — CID 75502454

IUPAC(2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide
SMILESCC(C)OCCCCNC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H28N2O3/c1-11(2)18-8-6-5-7-15-14(17)16-9-12(3)19-13(4)10-16/h11-13H,5-10H2,1-4H3,(H,15,17)/t12-,13+
InChIKeyOPQHMNHIMVMWAY-BETUJISGSA-N
MW272.39 g/mol
LogP2.01
Rot. Bonds6

About (2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide

(2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide (PubChem CID 75502454) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide
PubChem CID75502454
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name(2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide
SMILESCC(C)OCCCCNC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H28N2O3/c1-11(2)18-8-6-5-7-15-14(17)16-9-12(3)19-13(4)10-16/h11-13H,5-10H2,1-4H3,(H,15,17)/t12-,13+
InChIKeyOPQHMNHIMVMWAY-BETUJISGSA-N
XLogP2.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.01
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 (2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide?
The IUPAC name of (2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide (CID 75502454) is (2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide?
The canonical SMILES for (2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide is CC(C)OCCCCNC(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide?
The InChIKey is OPQHMNHIMVMWAY-BETUJISGSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)18-8-6-5-7-15-14(17)16-9-12(3)19-13(4)10-16/h11-13H,5-10H2,1-4H3,(H,15,17)/t12-,13+.
What are the key properties of (2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide?
(2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide is sourced from PubChem (CID 75502454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).