N-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride

C21H33ClF2N2O4 — CID 11669598

IUPACN-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride
SMILESCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CO[C@@H](OCC(C)(C)C)[C@H](C)N1.Cl
InChIInChI=1S/C21H32F2N2O4.ClH/c1-12-20(29-11-21(3,4)5)28-10-18(24-12)19(27)17(25-13(2)26)8-14-6-15(22)9-16(23)7-14;/h6-7,9,12,17-20,24,27H,8,10-11H2,1-5H3,(H,25,26);1H/t12-,17-,18+,19-,20-;/m0./s1
InChIKeyPJQGOUVTIKZTOU-QUQQOIKDSA-N
MW450.95 g/mol
LogP2.56
Rot. Bonds7

About N-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride

N-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride (PubChem CID 11669598) has the molecular formula C21H33ClF2N2O4 and a molecular weight of 450.95 g/mol. Its IUPAC name is N-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride
PubChem CID11669598
Molecular FormulaC21H33ClF2N2O4
Molecular Weight450.95 g/mol
Exact Mass450.21
IUPAC NameN-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride
SMILESCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CO[C@@H](OCC(C)(C)C)[C@H](C)N1.Cl
InChIInChI=1S/C21H32F2N2O4.ClH/c1-12-20(29-11-21(3,4)5)28-10-18(24-12)19(27)17(25-13(2)26)8-14-6-15(22)9-16(23)7-14;/h6-7,9,12,17-20,24,27H,8,10-11H2,1-5H3,(H,25,26);1H/t12-,17-,18+,19-,20-;/m0./s1
InChIKeyPJQGOUVTIKZTOU-QUQQOIKDSA-N
XLogP2.56
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.95
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2S)-1-[(2R,5R)-5-(cyclohexylmethoxy)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide;hydrochloride
CID 137637305
N-[(1S,2S)-1-[(3R,6R)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide;2,2,2-trifluoroacetic acid
CID 137642336
N-[(1S,2S)-1-[(3R,5S,6R)-6-(cyclohexylmethoxy)-5-methylmorpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide;hydrochloride
CID 137648801
Acetamide,N-[(1S,2S)-1-[(3,5-difluorophenyl)methyl]-2-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methyl-3-morpholinyl]-2-hydroxyethyl]-
CID 11669599
N-[(1S,2S)-1-[(3R,6R)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide
CID 131800993
N-[(6S,7S)-7-acetamido-8-(3,5-difluorophenyl)-6-hydroxyoctan-4-yl]-2-ethoxyacetamide
CID 11234976
N-[(5S,6S)-6-acetamido-7-(3,5-difluorophenyl)-5-hydroxyheptan-3-yl]-2-propoxyacetamide
CID 11234977
N-[(6S,7S)-7-acetamido-8-(3,5-difluorophenyl)-6-hydroxyoctan-4-yl]-2-propoxyacetamide
CID 11292895
N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-propoxyacetamide
CID 11349682
N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-2-ethoxyacetamide
CID 11372182
N-[(5S,6S)-6-acetamido-7-(3,5-difluorophenyl)-5-hydroxyheptan-3-yl]-2-ethoxyacetamide
CID 11440565
N-[3-(3,5-difluorophenyl)-1-hydroxy-1-(4-propylpiperidin-2-yl)propan-2-yl]acetamide
CID 11581178

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride?
The IUPAC name of N-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride (CID 11669598) is N-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride is CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CO[C@@H](OCC(C)(C)C)[C@H](C)N1.Cl.
What is the InChIKey of N-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride?
The InChIKey is PJQGOUVTIKZTOU-QUQQOIKDSA-N. The full InChI is InChI=1S/C21H32F2N2O4.ClH/c1-12-20(29-11-21(3,4)5)28-10-18(24-12)19(27)17(25-13(2)26)8-14-6-15(22)9-16(23)7-14;/h6-7,9,12,17-20,24,27H,8,10-11H2,1-5H3,(H,25,26);1H/t12-,17-,18+,19-,20-;/m0./s1.
What are the key properties of N-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride?
N-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride has a molecular weight of 450.95 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 11669598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).