1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one

C22H29NO3 — CID 1353093

IUPAC1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
SMILESCCN(CC)C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1
InChIInChI=1S/C22H29NO3/c1-3-23(4-2)16-19(24)17-26-22-13-9-8-12-20(22)21(25)15-14-18-10-6-5-7-11-18/h5-13,19,24H,3-4,14-17H2,1-2H3/t19-/m1/s1
InChIKeyXBYIRYDJOVXGAL-LJQANCHMSA-N
MW355.48 g/mol
LogP3.58
Rot. Bonds11

About 1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one

1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one (PubChem CID 1353093) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
PubChem CID1353093
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
SMILESCCN(CC)C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1
InChIInChI=1S/C22H29NO3/c1-3-23(4-2)16-19(24)17-26-22-13-9-8-12-20(22)21(25)15-14-18-10-6-5-7-11-18/h5-13,19,24H,3-4,14-17H2,1-2H3/t19-/m1/s1
InChIKeyXBYIRYDJOVXGAL-LJQANCHMSA-N
XLogP3.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2S)-2-hydroxy-3-[[(2S)-2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl]-propylamino]propoxy]phenyl]-3-phenylpropan-1-one
CID 76956070
1-[2-[3-[dimethoxyphosphoryl(propyl)amino]-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 58600610
[2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl]-methyl-di(propan-2-yl)azanium
CID 10436866
1-[2-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 1353740
1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one chloride
CID 53346768
1-[2-[3-(dipropylamino)-2-hydroxypropoxy]-5-fluorophenyl]-3-(4-fluorophenyl)propan-1-one;hydrochloride
CID 57401528
ethyl 2-[2-(3-phenylpropanoyl)phenoxy]acetate
CID 14976661
(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
CID 7185787
tert-butyl N-[2-methoxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl]-N-propylcarbamate;hydrochloride
CID 16638078
1-[2-[(2R)-3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 73351214
1-[2-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
CID 56647655
1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
CID 57391044

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one (CID 1353093) is 1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one is CCN(CC)C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1.
What is the InChIKey of 1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one?
The InChIKey is XBYIRYDJOVXGAL-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29NO3/c1-3-23(4-2)16-19(24)17-26-22-13-9-8-12-20(22)21(25)15-14-18-10-6-5-7-11-18/h5-13,19,24H,3-4,14-17H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one?
1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one has a molecular weight of 355.48 g/mol, XLogP of 3.58, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one is sourced from PubChem (CID 1353093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).