3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one

C18H21NO3 — CID 2954977

IUPAC3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(C(CC(=O)N2CCOCC2)c2ccco2)cc1
InChIInChI=1S/C18H21NO3/c1-14-4-6-15(7-5-14)16(17-3-2-10-22-17)13-18(20)19-8-11-21-12-9-19/h2-7,10,16H,8-9,11-13H2,1H3
InChIKeyAFBWAJQRQKNZTG-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.97
Rot. Bonds4

About 3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one

3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one (PubChem CID 2954977) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one
PubChem CID2954977
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(C(CC(=O)N2CCOCC2)c2ccco2)cc1
InChIInChI=1S/C18H21NO3/c1-14-4-6-15(7-5-14)16(17-3-2-10-22-17)13-18(20)19-8-11-21-12-9-19/h2-7,10,16H,8-9,11-13H2,1H3
InChIKeyAFBWAJQRQKNZTG-UHFFFAOYSA-N
XLogP2.97
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one (CID 2954977) is 3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one is Cc1ccc(C(CC(=O)N2CCOCC2)c2ccco2)cc1.
What is the InChIKey of 3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is AFBWAJQRQKNZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14-4-6-15(7-5-14)16(17-3-2-10-22-17)13-18(20)19-8-11-21-12-9-19/h2-7,10,16H,8-9,11-13H2,1H3.
What are the key properties of 3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one?
3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 299.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 2954977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).