(2S)-2-ethyl-2-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]morpholine-4-carboxamide

C15H28N2O3 — CID 129399538

IUPAC(2S)-2-ethyl-2-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]morpholine-4-carboxamide
SMILESCC[C@H](NC(=O)N1CCO[C@@](C)(CC)C1)[C@H]1CCCO1
InChIInChI=1S/C15H28N2O3/c1-4-12(13-7-6-9-19-13)16-14(18)17-8-10-20-15(3,5-2)11-17/h12-13H,4-11H2,1-3H3,(H,16,18)/t12-,13+,15-/m0/s1
InChIKeyZVZGGZOULJKORY-GUTXKFCHSA-N
MW284.40 g/mol
LogP2.15
Rot. Bonds4

About (2S)-2-ethyl-2-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]morpholine-4-carboxamide

(2S)-2-ethyl-2-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]morpholine-4-carboxamide (PubChem CID 129399538) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2S)-2-ethyl-2-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-ethyl-2-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]morpholine-4-carboxamide
PubChem CID129399538
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(2S)-2-ethyl-2-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]morpholine-4-carboxamide
SMILESCC[C@H](NC(=O)N1CCO[C@@](C)(CC)C1)[C@H]1CCCO1
InChIInChI=1S/C15H28N2O3/c1-4-12(13-7-6-9-19-13)16-14(18)17-8-10-20-15(3,5-2)11-17/h12-13H,4-11H2,1-3H3,(H,16,18)/t12-,13+,15-/m0/s1
InChIKeyZVZGGZOULJKORY-GUTXKFCHSA-N
XLogP2.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-2-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-ethyl-2-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]morpholine-4-carboxamide (CID 129399538) is (2S)-2-ethyl-2-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-ethyl-2-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-ethyl-2-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]morpholine-4-carboxamide is CC[C@H](NC(=O)N1CCO[C@@](C)(CC)C1)[C@H]1CCCO1.
What is the InChIKey of (2S)-2-ethyl-2-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]morpholine-4-carboxamide?
The InChIKey is ZVZGGZOULJKORY-GUTXKFCHSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-12(13-7-6-9-19-13)16-14(18)17-8-10-20-15(3,5-2)11-17/h12-13H,4-11H2,1-3H3,(H,16,18)/t12-,13+,15-/m0/s1.
What are the key properties of (2S)-2-ethyl-2-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]morpholine-4-carboxamide?
(2S)-2-ethyl-2-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]morpholine-4-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-2-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]propyl]morpholine-4-carboxamide is sourced from PubChem (CID 129399538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).