(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one

C17H31NO3 — CID 907746

IUPAC(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one
SMILESCC(C)[C@@H](CC(=O)N1CCOCC1)[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C17H31NO3/c1-13(2)15(14-5-8-21-17(3,4)12-14)11-16(19)18-6-9-20-10-7-18/h13-15H,5-12H2,1-4H3/t14-,15+/m0/s1
InChIKeyLNRDXHLVGYUFPT-LSDHHAIUSA-N
MW297.44 g/mol
LogP2.71
Rot. Bonds4

About (3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one

(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one (PubChem CID 907746) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is (3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one
PubChem CID907746
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one
SMILESCC(C)[C@@H](CC(=O)N1CCOCC1)[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C17H31NO3/c1-13(2)15(14-5-8-21-17(3,4)12-14)11-16(19)18-6-9-20-10-7-18/h13-15H,5-12H2,1-4H3/t14-,15+/m0/s1
InChIKeyLNRDXHLVGYUFPT-LSDHHAIUSA-N
XLogP2.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one?
The IUPAC name of (3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one (CID 907746) is (3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one.
What is the SMILES notation for (3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one?
The canonical SMILES for (3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one is CC(C)[C@@H](CC(=O)N1CCOCC1)[C@H]1CCOC(C)(C)C1.
What is the InChIKey of (3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one?
The InChIKey is LNRDXHLVGYUFPT-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H31NO3/c1-13(2)15(14-5-8-21-17(3,4)12-14)11-16(19)18-6-9-20-10-7-18/h13-15H,5-12H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of (3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one?
(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one has a molecular weight of 297.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methyl-1-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 907746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).