ethane;(2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one

C14H27NO4 — CID 144656991

IUPACethane;(2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one
SMILESCC.C[C@@H](OC1CCCCO1)C(=O)N1CCOCC1
InChIInChI=1S/C12H21NO4.C2H6/c1-10(17-11-4-2-3-7-16-11)12(14)13-5-8-15-9-6-13;1-2/h10-11H,2-9H2,1H3;1-2H3/t10-,11?;/m1./s1
InChIKeyHDDKWVNZFGRURV-QUUNXCOLSA-N
MW273.37 g/mol
LogP1.80
Rot. Bonds3

About ethane;(2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one

ethane;(2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one (PubChem CID 144656991) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is ethane;(2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one.

Molecular Properties

Compound Nameethane;(2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one
PubChem CID144656991
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameethane;(2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one
SMILESCC.C[C@@H](OC1CCCCO1)C(=O)N1CCOCC1
InChIInChI=1S/C12H21NO4.C2H6/c1-10(17-11-4-2-3-7-16-11)12(14)13-5-8-15-9-6-13;1-2/h10-11H,2-9H2,1H3;1-2H3/t10-,11?;/m1./s1
InChIKeyHDDKWVNZFGRURV-QUUNXCOLSA-N
XLogP1.80
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;(2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one?
The IUPAC name of ethane;(2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one (CID 144656991) is ethane;(2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one.
What is the SMILES notation for ethane;(2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one?
The canonical SMILES for ethane;(2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one is CC.C[C@@H](OC1CCCCO1)C(=O)N1CCOCC1.
What is the InChIKey of ethane;(2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one?
The InChIKey is HDDKWVNZFGRURV-QUUNXCOLSA-N. The full InChI is InChI=1S/C12H21NO4.C2H6/c1-10(17-11-4-2-3-7-16-11)12(14)13-5-8-15-9-6-13;1-2/h10-11H,2-9H2,1H3;1-2H3/t10-,11?;/m1./s1.
What are the key properties of ethane;(2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one?
ethane;(2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one has a molecular weight of 273.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R)-1-morpholin-4-yl-2-(oxan-2-yloxy)propan-1-one is sourced from PubChem (CID 144656991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).