4-ethyl-3-[4-(furan-2-yl)-2-oxobutyl]-6,6-dimethylmorpholin-2-one

C16H23NO4 — CID 161328990

IUPAC4-ethyl-3-[4-(furan-2-yl)-2-oxobutyl]-6,6-dimethylmorpholin-2-one
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)CCc1ccco1
InChIInChI=1S/C16H23NO4/c1-4-17-11-16(2,3)21-15(19)14(17)10-12(18)7-8-13-6-5-9-20-13/h5-6,9,14H,4,7-8,10-11H2,1-3H3
InChIKeyVLDWCDOTSZQVNX-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.20
Rot. Bonds6

About 4-ethyl-3-[4-(furan-2-yl)-2-oxobutyl]-6,6-dimethylmorpholin-2-one

4-ethyl-3-[4-(furan-2-yl)-2-oxobutyl]-6,6-dimethylmorpholin-2-one (PubChem CID 161328990) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-ethyl-3-[4-(furan-2-yl)-2-oxobutyl]-6,6-dimethylmorpholin-2-one.

Molecular Properties

Compound Name4-ethyl-3-[4-(furan-2-yl)-2-oxobutyl]-6,6-dimethylmorpholin-2-one
PubChem CID161328990
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-ethyl-3-[4-(furan-2-yl)-2-oxobutyl]-6,6-dimethylmorpholin-2-one
SMILESCCN1CC(C)(C)OC(=O)C1CC(=O)CCc1ccco1
InChIInChI=1S/C16H23NO4/c1-4-17-11-16(2,3)21-15(19)14(17)10-12(18)7-8-13-6-5-9-20-13/h5-6,9,14H,4,7-8,10-11H2,1-3H3
InChIKeyVLDWCDOTSZQVNX-UHFFFAOYSA-N
XLogP2.20
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 83136556
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CID 105134916
6-(furan-2-yl)hexane-2,4-dione
CID 155288881
1-(furan-2-yl)-5-methylhexan-3-one
CID 15073810
ethyl 5-(furan-2-yl)-3-oxopentanoate
CID 10846117
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
4-ethyl-1-(furan-2-yl)hexan-3-one
CID 105117415
1-cyclobutyl-3-(furan-2-yl)propan-1-one
CID 105133720
1-(furan-2-yl)hept-6-yn-3-one
CID 105100759
1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one
CID 105089444
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 114509981
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[4-(furan-2-yl)-2-oxobutyl]-6,6-dimethylmorpholin-2-one?
The IUPAC name of 4-ethyl-3-[4-(furan-2-yl)-2-oxobutyl]-6,6-dimethylmorpholin-2-one (CID 161328990) is 4-ethyl-3-[4-(furan-2-yl)-2-oxobutyl]-6,6-dimethylmorpholin-2-one.
What is the SMILES notation for 4-ethyl-3-[4-(furan-2-yl)-2-oxobutyl]-6,6-dimethylmorpholin-2-one?
The canonical SMILES for 4-ethyl-3-[4-(furan-2-yl)-2-oxobutyl]-6,6-dimethylmorpholin-2-one is CCN1CC(C)(C)OC(=O)C1CC(=O)CCc1ccco1.
What is the InChIKey of 4-ethyl-3-[4-(furan-2-yl)-2-oxobutyl]-6,6-dimethylmorpholin-2-one?
The InChIKey is VLDWCDOTSZQVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-17-11-16(2,3)21-15(19)14(17)10-12(18)7-8-13-6-5-9-20-13/h5-6,9,14H,4,7-8,10-11H2,1-3H3.
What are the key properties of 4-ethyl-3-[4-(furan-2-yl)-2-oxobutyl]-6,6-dimethylmorpholin-2-one?
4-ethyl-3-[4-(furan-2-yl)-2-oxobutyl]-6,6-dimethylmorpholin-2-one has a molecular weight of 293.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[4-(furan-2-yl)-2-oxobutyl]-6,6-dimethylmorpholin-2-one is sourced from PubChem (CID 161328990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).