(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol

C35H42N2O — CID 164611490

IUPAC(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol
SMILESCC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NCCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C35H42N2O/c1-27(2)32-20-12-15-29(23-32)25-36-26-35(38)34(24-28-13-6-3-7-14-28)37-22-21-33(30-16-8-4-9-17-30)31-18-10-5-11-19-31/h3-20,23,27,33-38H,21-22,24-26H2,1-2H3/t34-,35+/m0/s1
InChIKeyWRNDRGCONGZDSY-OIDHKYIRSA-N
MW506.73 g/mol
LogP6.68
Rot. Bonds14

About (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol

(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol (PubChem CID 164611490) has the molecular formula C35H42N2O and a molecular weight of 506.73 g/mol. Its IUPAC name is (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol
PubChem CID164611490
Molecular FormulaC35H42N2O
Molecular Weight506.73 g/mol
Exact Mass506.33
IUPAC Name(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol
SMILESCC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NCCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C35H42N2O/c1-27(2)32-20-12-15-29(23-32)25-36-26-35(38)34(24-28-13-6-3-7-14-28)37-22-21-33(30-16-8-4-9-17-30)31-18-10-5-11-19-31/h3-20,23,27,33-38H,21-22,24-26H2,1-2H3/t34-,35+/m0/s1
InChIKeyWRNDRGCONGZDSY-OIDHKYIRSA-N
XLogP6.68
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.73
LogP ≤ 56.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol with MolForge

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Related Compounds

(2R)-1-[[(3S,6S)-6-benzhydrylpiperidin-3-yl]amino]-3-phenylpropan-2-ol
CID 16040321
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-isobutylphenyl)cyclohexylamino)butan-2-yl)acetamide
CID 10005029
N-((2S,3R)-1-(3,5-difluorophenyl)-4-(1-(3-ethylphenyl)cyclohexylamino)-3-hydroxybutan-2-yl)acetamide
CID 10366180
(S)-1-[(3S,6S)-6-benzhydrylpiperidin-3-ylamino)-3-phenylpropan-2-ol
CID 44450675
N-((2S,3R)-4-(1-(3-((E)-but-2-en-2-yl)phenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 49862037
N-((2S,3R)-4-(1-(3-cyclopentylphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 49862202
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(prop-1-en-2-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide
CID 49862831
(1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzylamino)-1-phenylbutan-2-yl)-3-(2-propionamidopropan-2-yl)cyclohexanecarboxamide
CID 46881692
(2R,3S)-3-(2,2-diphenylethylamino)-4-phenyl-1-[[(1S)-1-phenylethyl]amino]butan-2-ol
CID 164609916
N-[(2S,3S)-4-[(4-tert-butylphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide
CID 164610907
N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide
CID 164611185
N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-2,2-diphenylacetamide
CID 164614126

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol?
The IUPAC name of (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol (CID 164611490) is (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol.
What is the SMILES notation for (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol?
The canonical SMILES for (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol is CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NCCC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol?
The InChIKey is WRNDRGCONGZDSY-OIDHKYIRSA-N. The full InChI is InChI=1S/C35H42N2O/c1-27(2)32-20-12-15-29(23-32)25-36-26-35(38)34(24-28-13-6-3-7-14-28)37-22-21-33(30-16-8-4-9-17-30)31-18-10-5-11-19-31/h3-20,23,27,33-38H,21-22,24-26H2,1-2H3/t34-,35+/m0/s1.
What are the key properties of (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol?
(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol has a molecular weight of 506.73 g/mol, XLogP of 6.68, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol is sourced from PubChem (CID 164611490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).