(1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one

C26H29NO2 — CID 11176699

IUPAC(1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one
SMILESC[C@@H](C(=O)[C@H](C)N(Cc1ccccc1)Cc1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C26H29NO2/c1-20(26(29)24-16-10-5-11-17-24)25(28)21(2)27(18-22-12-6-3-7-13-22)19-23-14-8-4-9-15-23/h3-17,20-21,26,29H,18-19H2,1-2H3/t20-,21-,26+/m0/s1
InChIKeyGCYQFIORJPCTFI-ISJBWFOZSA-N
MW387.52 g/mol
LogP5.02
Rot. Bonds9

About (1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one

(1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one (PubChem CID 11176699) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is (1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one.

Molecular Properties

Compound Name(1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one
PubChem CID11176699
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name(1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one
SMILESC[C@@H](C(=O)[C@H](C)N(Cc1ccccc1)Cc1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C26H29NO2/c1-20(26(29)24-16-10-5-11-17-24)25(28)21(2)27(18-22-12-6-3-7-13-22)19-23-14-8-4-9-15-23/h3-17,20-21,26,29H,18-19H2,1-2H3/t20-,21-,26+/m0/s1
InChIKeyGCYQFIORJPCTFI-ISJBWFOZSA-N
XLogP5.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one with MolForge

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Related Compounds

(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
CID 10903545
(1R,2S)-1-phenyl-2-(N,N-dibenzylamino)-1-propanol
CID 12105160
methyl (2S,3R)-2-(dibenzylamino)-3-hydroxy-3-phenylpropanoate
CID 14130829
(2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide
CID 134544444
2-[Benzyl(2-hydroxyethyl)amino]-1,2-diphenylethanol hydrochloride
CID 54599890
1-Benzyl-3-[hydroxy(phenyl)methyl]piperidin-2-one
CID 76312478
5-(4-Fluorophenyl)-5-hydroxy-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one
CID 67739898
(2S,5S)-2-(dibenzylamino)-11,11-difluoro-5-hydroxyoctadecan-3-one
CID 89480290
(2S,5S)-2-(dibenzylamino)-9,9-difluoro-5-hydroxyoctadecan-3-one
CID 89483944
1-Butanol, 3-(dibenzylamino)-1-phenyl-(R or s)
CID 614178
Tert-butyl 2-[benzhydryl-(2-hydroxy-2-phenylethyl)amino]acetate
CID 10364669
(2S,4R)-2-benzyl-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-4-phenylbutanamide
CID 10549897

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one?
The IUPAC name of (1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one (CID 11176699) is (1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one.
What is the SMILES notation for (1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one?
The canonical SMILES for (1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one is C[C@@H](C(=O)[C@H](C)N(Cc1ccccc1)Cc1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one?
The InChIKey is GCYQFIORJPCTFI-ISJBWFOZSA-N. The full InChI is InChI=1S/C26H29NO2/c1-20(26(29)24-16-10-5-11-17-24)25(28)21(2)27(18-22-12-6-3-7-13-22)19-23-14-8-4-9-15-23/h3-17,20-21,26,29H,18-19H2,1-2H3/t20-,21-,26+/m0/s1.
What are the key properties of (1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one?
(1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one has a molecular weight of 387.52 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one is sourced from PubChem (CID 11176699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).