(2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one

C26H34N2O3 — CID 92573632

IUPAC(2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one
SMILESCC(C)c1cccc(C(=O)[C@H]([C@H](c2ccccc2)N2CCOCC2)N2CCOCC2)c1
InChIInChI=1S/C26H34N2O3/c1-20(2)22-9-6-10-23(19-22)26(29)25(28-13-17-31-18-14-28)24(21-7-4-3-5-8-21)27-11-15-30-16-12-27/h3-10,19-20,24-25H,11-18H2,1-2H3/t24-,25-/m0/s1
InChIKeyPDKHDYYCCPDKCB-DQEYMECFSA-N
MW422.57 g/mol
LogP3.77
Rot. Bonds7

About (2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one

(2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one (PubChem CID 92573632) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is (2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name(2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one
PubChem CID92573632
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name(2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one
SMILESCC(C)c1cccc(C(=O)[C@H]([C@H](c2ccccc2)N2CCOCC2)N2CCOCC2)c1
InChIInChI=1S/C26H34N2O3/c1-20(2)22-9-6-10-23(19-22)26(29)25(28-13-17-31-18-14-28)24(21-7-4-3-5-8-21)27-11-15-30-16-12-27/h3-10,19-20,24-25H,11-18H2,1-2H3/t24-,25-/m0/s1
InChIKeyPDKHDYYCCPDKCB-DQEYMECFSA-N
XLogP3.77
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-3,4-dimorpholin-4-yl-4-phenylbutan-2-one
CID 680065
(2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one
CID 92573674
(2R,3S)-1-(4-butoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one
CID 92759233
(2S,3S)-2-hydroxy-3-morpholin-4-yl-1,3-diphenylpropan-1-one
CID 1481632
(2R,3R)-1-(2,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one
CID 92573468
ethyl (2S,3S)-2,3-dimorpholin-4-yl-3-phenylpropanoate
CID 680324
(2R,3R)-3-(3-chlorophenyl)-1-(furan-2-yl)-2,3-dimorpholin-4-ylpropan-1-one
CID 1403980
(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
(2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one
CID 10637492
2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one
CID 146007205
2-chloro-1-(3-propan-2-ylphenyl)propan-1-one
CID 131009235

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one?
The IUPAC name of (2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one (CID 92573632) is (2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one.
What is the SMILES notation for (2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one?
The canonical SMILES for (2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one is CC(C)c1cccc(C(=O)[C@H]([C@H](c2ccccc2)N2CCOCC2)N2CCOCC2)c1.
What is the InChIKey of (2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one?
The InChIKey is PDKHDYYCCPDKCB-DQEYMECFSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-20(2)22-9-6-10-23(19-22)26(29)25(28-13-17-31-18-14-28)24(21-7-4-3-5-8-21)27-11-15-30-16-12-27/h3-10,19-20,24-25H,11-18H2,1-2H3/t24-,25-/m0/s1.
What are the key properties of (2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one?
(2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one has a molecular weight of 422.57 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 92573632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).