(3R)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide

C33H36N2O2 — CID 134920486

IUPAC(3R)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)C[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C33H36N2O2/c1-26(33(37)30-21-13-6-14-22-30)34(2)32(36)23-31(29-19-11-5-12-20-29)35(24-27-15-7-3-8-16-27)25-28-17-9-4-10-18-28/h3-22,26,31,33,37H,23-25H2,1-2H3/t26-,31+,33+/m0/s1
InChIKeyXUNAUAOPPJULPQ-MBHRIBFBSA-N
MW492.66 g/mol
LogP6.40
Rot. Bonds11

About (3R)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide

(3R)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide (PubChem CID 134920486) has the molecular formula C33H36N2O2 and a molecular weight of 492.66 g/mol. Its IUPAC name is (3R)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
PubChem CID134920486
Molecular FormulaC33H36N2O2
Molecular Weight492.66 g/mol
Exact Mass492.28
IUPAC Name(3R)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)C[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C33H36N2O2/c1-26(33(37)30-21-13-6-14-22-30)34(2)32(36)23-31(29-19-11-5-12-20-29)35(24-27-15-7-3-8-16-27)25-28-17-9-4-10-18-28/h3-22,26,31,33,37H,23-25H2,1-2H3/t26-,31+,33+/m0/s1
InChIKeyXUNAUAOPPJULPQ-MBHRIBFBSA-N
XLogP6.40
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-(Bis(beta-hydroxyphenethyl)amino)butyl)benzamide
CID 146200
2-[(2,2-diphenylacetyl)amino]-N-[4-[(2-hydroxy-2-phenylethyl)amino]-3,4-dioxo-1-phenylbutan-2-yl]-4-methylpentanamide
CID 44353631
N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide
CID 164611185
N-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,2-diphenylacetamide
CID 164618064
N-[(2S,3S)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-2,2-diphenylacetamide
CID 164620211
N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(3-propan-2-ylphenyl)methylamino]butan-2-yl]-3,3-diphenylpropanamide
CID 164627701
N-[(2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 24761779
Piperazine, 1-(diphenylmethyl)-4-(2-hydroxy-1-oxo-2-phenylheptyl)-
CID 11224857
1-(4-Benzhydrylpiperazin-1-yl)-2-hydroxy-2-phenylpropan-1-one
CID 44421329
N-[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide
CID 164609475
N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1S)-1-phenylethyl]amino]butan-2-yl]-2,2-diphenylacetamide
CID 164616358
N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-3,3-diphenylpropanamide
CID 164623843

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
The IUPAC name of (3R)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide (CID 134920486) is (3R)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for (3R)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide is C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)C[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3R)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
The InChIKey is XUNAUAOPPJULPQ-MBHRIBFBSA-N. The full InChI is InChI=1S/C33H36N2O2/c1-26(33(37)30-21-13-6-14-22-30)34(2)32(36)23-31(29-19-11-5-12-20-29)35(24-27-15-7-3-8-16-27)25-28-17-9-4-10-18-28/h3-22,26,31,33,37H,23-25H2,1-2H3/t26-,31+,33+/m0/s1.
What are the key properties of (3R)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
(3R)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide has a molecular weight of 492.66 g/mol, XLogP of 6.40, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 134920486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).