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

C18H21NO3 — CID 6546229

IUPAC(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc([C@@H](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/t16-/m1/s1
InChIKeyAFBWAJQRQKNZTG-MRXNPFEDSA-N
MW299.37 g/mol
LogP2.97
Rot. Bonds4

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

(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one (PubChem CID 6546229) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one
PubChem CID6546229
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc([C@@H](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/t16-/m1/s1
InChIKeyAFBWAJQRQKNZTG-MRXNPFEDSA-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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Related Compounds

(3R)-3-(furan-2-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 948351
(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 40595933
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one
CID 947485
3-(furan-2-yl)-1-morpholin-4-yl-4-phenylbutan-1-one
CID 131907306
(3S)-3-(2-hydroxy-4-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 740584
(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887
3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one
CID 110901323
3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
CID 50954754
8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 131932959
3-(1,3-benzodioxol-5-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 45197792
4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
CID 82133442

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one (CID 6546229) is (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one is Cc1ccc([C@@H](CC(=O)N2CCOCC2)c2ccco2)cc1.
What is the InChIKey of (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is AFBWAJQRQKNZTG-MRXNPFEDSA-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/t16-/m1/s1.
What are the key properties of (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one?
(3R)-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 (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 6546229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).