4-(2-cyclohexylacetyl)-3-hydroxy-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one

C19H29NO5 — CID 69135289

IUPAC4-(2-cyclohexylacetyl)-3-hydroxy-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one
SMILESO=C(CC1CCCCC1)C1=C(O)C(CCCN2CCOCC2)OC1=O
InChIInChI=1S/C19H29NO5/c21-15(13-14-5-2-1-3-6-14)17-18(22)16(25-19(17)23)7-4-8-20-9-11-24-12-10-20/h14,16,22H,1-13H2
InChIKeyKLHWEJMVGNODDN-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.38
Rot. Bonds7

About 4-(2-cyclohexylacetyl)-3-hydroxy-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one

4-(2-cyclohexylacetyl)-3-hydroxy-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one (PubChem CID 69135289) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is 4-(2-cyclohexylacetyl)-3-hydroxy-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(2-cyclohexylacetyl)-3-hydroxy-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one
PubChem CID69135289
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Name4-(2-cyclohexylacetyl)-3-hydroxy-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one
SMILESO=C(CC1CCCCC1)C1=C(O)C(CCCN2CCOCC2)OC1=O
InChIInChI=1S/C19H29NO5/c21-15(13-14-5-2-1-3-6-14)17-18(22)16(25-19(17)23)7-4-8-20-9-11-24-12-10-20/h14,16,22H,1-13H2
InChIKeyKLHWEJMVGNODDN-UHFFFAOYSA-N
XLogP2.38
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexylacetyl)-3-hydroxy-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one?
The IUPAC name of 4-(2-cyclohexylacetyl)-3-hydroxy-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one (CID 69135289) is 4-(2-cyclohexylacetyl)-3-hydroxy-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one.
What is the SMILES notation for 4-(2-cyclohexylacetyl)-3-hydroxy-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one?
The canonical SMILES for 4-(2-cyclohexylacetyl)-3-hydroxy-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one is O=C(CC1CCCCC1)C1=C(O)C(CCCN2CCOCC2)OC1=O.
What is the InChIKey of 4-(2-cyclohexylacetyl)-3-hydroxy-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one?
The InChIKey is KLHWEJMVGNODDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5/c21-15(13-14-5-2-1-3-6-14)17-18(22)16(25-19(17)23)7-4-8-20-9-11-24-12-10-20/h14,16,22H,1-13H2.
What are the key properties of 4-(2-cyclohexylacetyl)-3-hydroxy-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one?
4-(2-cyclohexylacetyl)-3-hydroxy-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one has a molecular weight of 351.44 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylacetyl)-3-hydroxy-2-(3-morpholin-4-ylpropyl)-2H-furan-5-one is sourced from PubChem (CID 69135289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).