(4R,5S)-5-(dibenzylamino)-4-hydroxy-6-phenylhexan-2-one

C26H29NO2 — CID 11292153

IUPAC(4R,5S)-5-(dibenzylamino)-4-hydroxy-6-phenylhexan-2-one
SMILESCC(=O)C[C@@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H29NO2/c1-21(28)17-26(29)25(18-22-11-5-2-6-12-22)27(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-16,25-26,29H,17-20H2,1H3/t25-,26+/m0/s1
InChIKeyQDEYXLKFHPTHOR-IZZNHLLZSA-N
MW387.52 g/mol
LogP4.64
Rot. Bonds10

About (4R,5S)-5-(dibenzylamino)-4-hydroxy-6-phenylhexan-2-one

(4R,5S)-5-(dibenzylamino)-4-hydroxy-6-phenylhexan-2-one (PubChem CID 11292153) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is (4R,5S)-5-(dibenzylamino)-4-hydroxy-6-phenylhexan-2-one.

Molecular Properties

Compound Name(4R,5S)-5-(dibenzylamino)-4-hydroxy-6-phenylhexan-2-one
PubChem CID11292153
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name(4R,5S)-5-(dibenzylamino)-4-hydroxy-6-phenylhexan-2-one
SMILESCC(=O)C[C@@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H29NO2/c1-21(28)17-26(29)25(18-22-11-5-2-6-12-22)27(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-16,25-26,29H,17-20H2,1H3/t25-,26+/m0/s1
InChIKeyQDEYXLKFHPTHOR-IZZNHLLZSA-N
XLogP4.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(+)-2-(Dibenzylamino)-3-phenyl-1-propanol
CID 7019180
(3S,5R,6R)-1,3,6-Tribenzyl-5-hydroxy-piperidin-2-one
CID 468424
4-Piperidone, 1-equatorial-benzyl-3-axial-hydroxy-3-equatorial-methyl-6-equatorial-phenyl-, hydrochloride
CID 3050457
(betaR)-beta-[Bis(phenylmethyl)amino]benzenepropanol
CID 16217014
(1S,2R)-1-(dibenzylamino)-3-fluoro-3-methyl-1-phenylbutan-2-ol
CID 53343017
(1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol
CID 71501124
1-Benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one
CID 3434649
N,N-Dibenzyl-L-phenylalanine
CID 10980880
methyl (3R,4S)-4-(dibenzylamino)-3-hydroxypentanoate
CID 13949676
methyl (2S,3R)-2-(dibenzylamino)-3-hydroxy-3-phenylpropanoate
CID 14130829
N,N-dibenzyl-dl-phenylalanine
CID 15622020
2-(Dibenzylamino)-1-(difluoromethoxy)-5-(4-fluorophenyl)pentan-3-one
CID 59153418

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(dibenzylamino)-4-hydroxy-6-phenylhexan-2-one?
The IUPAC name of (4R,5S)-5-(dibenzylamino)-4-hydroxy-6-phenylhexan-2-one (CID 11292153) is (4R,5S)-5-(dibenzylamino)-4-hydroxy-6-phenylhexan-2-one.
What is the SMILES notation for (4R,5S)-5-(dibenzylamino)-4-hydroxy-6-phenylhexan-2-one?
The canonical SMILES for (4R,5S)-5-(dibenzylamino)-4-hydroxy-6-phenylhexan-2-one is CC(=O)C[C@@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (4R,5S)-5-(dibenzylamino)-4-hydroxy-6-phenylhexan-2-one?
The InChIKey is QDEYXLKFHPTHOR-IZZNHLLZSA-N. The full InChI is InChI=1S/C26H29NO2/c1-21(28)17-26(29)25(18-22-11-5-2-6-12-22)27(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-16,25-26,29H,17-20H2,1H3/t25-,26+/m0/s1.
What are the key properties of (4R,5S)-5-(dibenzylamino)-4-hydroxy-6-phenylhexan-2-one?
(4R,5S)-5-(dibenzylamino)-4-hydroxy-6-phenylhexan-2-one has a molecular weight of 387.52 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(dibenzylamino)-4-hydroxy-6-phenylhexan-2-one is sourced from PubChem (CID 11292153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).