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

C25H32N2O5 — CID 92573468

IUPAC(2R,3R)-1-(2,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one
SMILESCOc1ccc(C(=O)[C@@H]([C@@H](c2ccccc2)N2CCOCC2)N2CCOCC2)c(OC)c1
InChIInChI=1S/C25H32N2O5/c1-29-20-8-9-21(22(18-20)30-2)25(28)24(27-12-16-32-17-13-27)23(19-6-4-3-5-7-19)26-10-14-31-15-11-26/h3-9,18,23-24H,10-17H2,1-2H3/t23-,24-/m1/s1
InChIKeyQBJNKTSWHHWNOE-DNQXCXABSA-N
MW440.54 g/mol
LogP2.66
Rot. Bonds8

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

(2R,3R)-1-(2,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one (PubChem CID 92573468) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is (2R,3R)-1-(2,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2R,3R)-1-(2,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one
PubChem CID92573468
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name(2R,3R)-1-(2,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one
SMILESCOc1ccc(C(=O)[C@@H]([C@@H](c2ccccc2)N2CCOCC2)N2CCOCC2)c(OC)c1
InChIInChI=1S/C25H32N2O5/c1-29-20-8-9-21(22(18-20)30-2)25(28)24(27-12-16-32-17-13-27)23(19-6-4-3-5-7-19)26-10-14-31-15-11-26/h3-9,18,23-24H,10-17H2,1-2H3/t23-,24-/m1/s1
InChIKeyQBJNKTSWHHWNOE-DNQXCXABSA-N
XLogP2.66
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R)-2,3-dimorpholin-4-yl-1-(4-phenoxyphenyl)-3-phenylpropan-1-one
CID 92573674
(3S,4S)-3,4-dimorpholin-4-yl-4-phenylbutan-2-one
CID 680065
(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
(2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone
CID 104890975
ethyl (2S,3S)-2,3-dimorpholin-4-yl-3-phenylpropanoate
CID 680324
1-(4-methoxyphenyl)-2-morpholin-4-yl-2-phenylethanone
CID 644374
1-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanone
CID 82050526
3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64526958
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
CID 7716217
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(2,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one?
The IUPAC name of (2R,3R)-1-(2,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one (CID 92573468) is (2R,3R)-1-(2,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one.
What is the SMILES notation for (2R,3R)-1-(2,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one?
The canonical SMILES for (2R,3R)-1-(2,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one is COc1ccc(C(=O)[C@@H]([C@@H](c2ccccc2)N2CCOCC2)N2CCOCC2)c(OC)c1.
What is the InChIKey of (2R,3R)-1-(2,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one?
The InChIKey is QBJNKTSWHHWNOE-DNQXCXABSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-29-20-8-9-21(22(18-20)30-2)25(28)24(27-12-16-32-17-13-27)23(19-6-4-3-5-7-19)26-10-14-31-15-11-26/h3-9,18,23-24H,10-17H2,1-2H3/t23-,24-/m1/s1.
What are the key properties of (2R,3R)-1-(2,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one?
(2R,3R)-1-(2,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one has a molecular weight of 440.54 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(2,4-dimethoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one is sourced from PubChem (CID 92573468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).