(2R)-2-amino-3-(4-phenylphenyl)propan-1-ol;1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylphenyl)propan-2-yl]pyrrolidine-2,5-dione;hydrochloride

C38H45ClN2O4 — CID 161464898

IUPAC(2R)-2-amino-3-(4-phenylphenyl)propan-1-ol;1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylphenyl)propan-2-yl]pyrrolidine-2,5-dione;hydrochloride
SMILESCC(C)(C)OCC(Cc1ccc(-c2ccccc2)cc1)N1C(=O)CCC1=O.Cl.N[C@@H](CO)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H27NO3.C15H17NO.ClH/c1-23(2,3)27-16-20(24-21(25)13-14-22(24)26)15-17-9-11-19(12-10-17)18-7-5-4-6-8-18;16-15(11-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13;/h4-12,20H,13-16H2,1-3H3;1-9,15,17H,10-11,16H2;1H/t;15-;/m.1./s1
InChIKeyUELCFPFLZKRULE-YCPRTECDSA-N
MW629.24 g/mol
LogP6.87
Rot. Bonds10

About (2R)-2-amino-3-(4-phenylphenyl)propan-1-ol;1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylphenyl)propan-2-yl]pyrrolidine-2,5-dione;hydrochloride

(2R)-2-amino-3-(4-phenylphenyl)propan-1-ol;1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylphenyl)propan-2-yl]pyrrolidine-2,5-dione;hydrochloride (PubChem CID 161464898) has the molecular formula C38H45ClN2O4 and a molecular weight of 629.24 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-phenylphenyl)propan-1-ol;1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylphenyl)propan-2-yl]pyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-phenylphenyl)propan-1-ol;1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylphenyl)propan-2-yl]pyrrolidine-2,5-dione;hydrochloride
PubChem CID161464898
Molecular FormulaC38H45ClN2O4
Molecular Weight629.24 g/mol
Exact Mass628.31
IUPAC Name(2R)-2-amino-3-(4-phenylphenyl)propan-1-ol;1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylphenyl)propan-2-yl]pyrrolidine-2,5-dione;hydrochloride
SMILESCC(C)(C)OCC(Cc1ccc(-c2ccccc2)cc1)N1C(=O)CCC1=O.Cl.N[C@@H](CO)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H27NO3.C15H17NO.ClH/c1-23(2,3)27-16-20(24-21(25)13-14-22(24)26)15-17-9-11-19(12-10-17)18-7-5-4-6-8-18;16-15(11-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13;/h4-12,20H,13-16H2,1-3H3;1-9,15,17H,10-11,16H2;1H/t;15-;/m.1./s1
InChIKeyUELCFPFLZKRULE-YCPRTECDSA-N
XLogP6.87
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.24
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2R)-2-amino-3-(4-phenylphenyl)propan-1-ol;1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylphenyl)propan-2-yl]pyrrolidine-2,5-dione;hydrochloride with MolForge

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Related Compounds

1-[(2R)-1-(2-methylpropoxy)-3-(4-phenylphenyl)propan-2-yl]pyrrolidine-2,5-dione
CID 144581499
4-(2,5-dioxopyrrolidin-1-yl)-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 138112022
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]azepane-2,7-dione
CID 107861522
tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
CID 141206452
4-[4-(2-amino-3-hydroxypropyl)phenyl]benzoic acid;hydrochloride
CID 170892858
2-amino-3-[4-(3,5-dimethylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170893059
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one
CID 107861552
1-(4-phenylphenyl)butan-2-amine
CID 23591877
5-(2,5-dioxopyrrolidin-1-yl)-6-phenylhex-2-ynoic acid
CID 145184600
ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
CID 127255946
2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid
CID 174822105

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-phenylphenyl)propan-1-ol;1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylphenyl)propan-2-yl]pyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of (2R)-2-amino-3-(4-phenylphenyl)propan-1-ol;1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylphenyl)propan-2-yl]pyrrolidine-2,5-dione;hydrochloride (CID 161464898) is (2R)-2-amino-3-(4-phenylphenyl)propan-1-ol;1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylphenyl)propan-2-yl]pyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-(4-phenylphenyl)propan-1-ol;1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylphenyl)propan-2-yl]pyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-(4-phenylphenyl)propan-1-ol;1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylphenyl)propan-2-yl]pyrrolidine-2,5-dione;hydrochloride is CC(C)(C)OCC(Cc1ccc(-c2ccccc2)cc1)N1C(=O)CCC1=O.Cl.N[C@@H](CO)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R)-2-amino-3-(4-phenylphenyl)propan-1-ol;1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylphenyl)propan-2-yl]pyrrolidine-2,5-dione;hydrochloride?
The InChIKey is UELCFPFLZKRULE-YCPRTECDSA-N. The full InChI is InChI=1S/C23H27NO3.C15H17NO.ClH/c1-23(2,3)27-16-20(24-21(25)13-14-22(24)26)15-17-9-11-19(12-10-17)18-7-5-4-6-8-18;16-15(11-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13;/h4-12,20H,13-16H2,1-3H3;1-9,15,17H,10-11,16H2;1H/t;15-;/m.1./s1.
What are the key properties of (2R)-2-amino-3-(4-phenylphenyl)propan-1-ol;1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylphenyl)propan-2-yl]pyrrolidine-2,5-dione;hydrochloride?
(2R)-2-amino-3-(4-phenylphenyl)propan-1-ol;1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylphenyl)propan-2-yl]pyrrolidine-2,5-dione;hydrochloride has a molecular weight of 629.24 g/mol, XLogP of 6.87, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-phenylphenyl)propan-1-ol;1-[(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenylphenyl)propan-2-yl]pyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 161464898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).