3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one

C18H21NO3 — CID 131907306

IUPAC3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one
SMILESO=C(CC(Cc1ccccc1)c1ccco1)N1CCOCC1
InChIInChI=1S/C18H21NO3/c20-18(19-8-11-21-12-9-19)14-16(17-7-4-10-22-17)13-15-5-2-1-3-6-15/h1-7,10,16H,8-9,11-14H2
InChIKeyMNGVTXHMJUJVLX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.85
Rot. Bonds5

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

3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one (PubChem CID 131907306) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one
PubChem CID131907306
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one
SMILESO=C(CC(Cc1ccccc1)c1ccco1)N1CCOCC1
InChIInChI=1S/C18H21NO3/c20-18(19-8-11-21-12-9-19)14-16(17-7-4-10-22-17)13-15-5-2-1-3-6-15/h1-7,10,16H,8-9,11-14H2
InChIKeyMNGVTXHMJUJVLX-UHFFFAOYSA-N
XLogP2.85
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 91778220
(3R)-3-(furan-2-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 948351
8-[(3R)-3-(furan-2-yl)-4-phenylbutanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 95895519
(3S)-1-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-(furan-2-yl)-4-phenylbutan-1-one
CID 126454260
(3R)-1-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-(furan-2-yl)-4-phenylbutan-1-one
CID 126454261
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 6546229
(3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one
CID 59325114
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943477
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
2-(benzylamino)-1-morpholin-4-ylethanone
CID 23252432
4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
CID 82133442
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
CID 40562536

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one (CID 131907306) is 3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one is O=C(CC(Cc1ccccc1)c1ccco1)N1CCOCC1.
What is the InChIKey of 3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one?
The InChIKey is MNGVTXHMJUJVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c20-18(19-8-11-21-12-9-19)14-16(17-7-4-10-22-17)13-15-5-2-1-3-6-15/h1-7,10,16H,8-9,11-14H2.
What are the key properties of 3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one?
3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one has a molecular weight of 299.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one is sourced from PubChem (CID 131907306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).