(2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one

C22H28N2O4 — CID 1192804

IUPAC(2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one
SMILESCc1ccc([C@H]([C@@H](C(=O)c2ccco2)N2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/C22H28N2O4/c1-17-4-6-18(7-5-17)20(23-8-13-26-14-9-23)21(24-10-15-27-16-11-24)22(25)19-3-2-12-28-19/h2-7,12,20-21H,8-11,13-16H2,1H3/t20-,21+/m1/s1
InChIKeyWIIAKJDQWGCZOG-RTWAWAEBSA-N
MW384.48 g/mol
LogP2.55
Rot. Bonds6

About (2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one

(2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one (PubChem CID 1192804) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one
PubChem CID1192804
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one
SMILESCc1ccc([C@H]([C@@H](C(=O)c2ccco2)N2CCOCC2)N2CCOCC2)cc1
InChIInChI=1S/C22H28N2O4/c1-17-4-6-18(7-5-17)20(23-8-13-26-14-9-23)21(24-10-15-27-16-11-24)22(25)19-3-2-12-28-19/h2-7,12,20-21H,8-11,13-16H2,1H3/t20-,21+/m1/s1
InChIKeyWIIAKJDQWGCZOG-RTWAWAEBSA-N
XLogP2.55
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one
CID 1192806
(2R,3S)-1-(furan-2-yl)-3-(4-methylsulfanylphenyl)-2,3-dimorpholin-4-ylpropan-1-one
CID 1178089
(2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one
CID 1403980
(3S,4S)-3,4-dimorpholin-4-yl-4-phenylbutan-2-one
CID 680065
1-(furan-2-yl)-3-(4-methylphenyl)-2,3-di(morpholin-4-ium-4-yl)propan-1-one
CID 3447347
(2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-di(morpholin-4-ium-4-yl)propan-1-one
CID 6973435
(3R,4S)-4-(4-bromophenyl)-3,4-dimorpholin-4-ylbutan-2-one
CID 92573477
ethyl (2S,3S)-2,3-dimorpholin-4-yl-3-phenylpropanoate
CID 680324
N-[3-methyl-1-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 55900315
N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide
CID 29181274
(2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one
CID 92573632
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 6546229

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one?
The IUPAC name of (2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one (CID 1192804) is (2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one?
The canonical SMILES for (2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one is Cc1ccc([C@H]([C@@H](C(=O)c2ccco2)N2CCOCC2)N2CCOCC2)cc1.
What is the InChIKey of (2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one?
The InChIKey is WIIAKJDQWGCZOG-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-17-4-6-18(7-5-17)20(23-8-13-26-14-9-23)21(24-10-15-27-16-11-24)22(25)19-3-2-12-28-19/h2-7,12,20-21H,8-11,13-16H2,1H3/t20-,21+/m1/s1.
What are the key properties of (2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one?
(2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one has a molecular weight of 384.48 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one is sourced from PubChem (CID 1192804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).