(2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one

C29H32N2O4 — CID 92573674

IUPAC(2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one
SMILESO=C(c1ccc(Oc2ccccc2)cc1)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C29H32N2O4/c32-29(24-11-13-26(14-12-24)35-25-9-5-2-6-10-25)28(31-17-21-34-22-18-31)27(23-7-3-1-4-8-23)30-15-19-33-20-16-30/h1-14,27-28H,15-22H2/t27-,28-/m1/s1
InChIKeyNJOSICCSVABOEX-VSGBNLITSA-N
MW472.59 g/mol
LogP4.44
Rot. Bonds8

About (2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one

(2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one (PubChem CID 92573674) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is (2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one
PubChem CID92573674
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name(2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one
SMILESO=C(c1ccc(Oc2ccccc2)cc1)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C29H32N2O4/c32-29(24-11-13-26(14-12-24)35-25-9-5-2-6-10-25)28(31-17-21-34-22-18-31)27(23-7-3-1-4-8-23)30-15-19-33-20-16-30/h1-14,27-28H,15-22H2/t27-,28-/m1/s1
InChIKeyNJOSICCSVABOEX-VSGBNLITSA-N
XLogP4.44
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-1-(4-butoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one
CID 92759233
(2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one
CID 92573632
(3S,4S)-3,4-dimorpholin-4-yl-4-phenylbutan-2-one
CID 680065
(2R,3R)-1-(2,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one
CID 92573468
(2S,3S)-2-hydroxy-3-morpholin-4-yl-1,3-diphenylpropan-1-one
CID 1481632
ethyl (2S,3S)-2,3-dimorpholin-4-yl-3-phenylpropanoate
CID 680324
1-(4-methoxyphenyl)-2-morpholin-4-yl-2-phenylethanone
CID 644374
1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone
CID 71319479
(2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one
CID 1192804
(2R,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-dimorpholin-4-ylpropan-1-one
CID 1192806
CID 70488363
CID 70488363
4-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]benzoic acid
CID 4741719

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one?
The IUPAC name of (2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one (CID 92573674) is (2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for (2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one?
The canonical SMILES for (2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one is O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]([C@@H](c1ccccc1)N1CCOCC1)N1CCOCC1.
What is the InChIKey of (2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one?
The InChIKey is NJOSICCSVABOEX-VSGBNLITSA-N. The full InChI is InChI=1S/C29H32N2O4/c32-29(24-11-13-26(14-12-24)35-25-9-5-2-6-10-25)28(31-17-21-34-22-18-31)27(23-7-3-1-4-8-23)30-15-19-33-20-16-30/h1-14,27-28H,15-22H2/t27-,28-/m1/s1.
What are the key properties of (2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one?
(2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one has a molecular weight of 472.59 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 92573674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).