(2S,4R,5R)-2-(dibenzylamino)-5-hydroxy-4,6,6-trimethylheptan-3-one

C24H33NO2 — CID 11760351

IUPAC(2S,4R,5R)-2-(dibenzylamino)-5-hydroxy-4,6,6-trimethylheptan-3-one
SMILESC[C@@H](C(=O)[C@H](C)N(Cc1ccccc1)Cc1ccccc1)[C@@H](O)C(C)(C)C
InChIInChI=1S/C24H33NO2/c1-18(23(27)24(3,4)5)22(26)19(2)25(16-20-12-8-6-9-13-20)17-21-14-10-7-11-15-21/h6-15,18-19,23,27H,16-17H2,1-5H3/t18-,19-,23+/m0/s1
InChIKeyGWSFDRJDYNOQMM-SFYKDHMMSA-N
MW367.53 g/mol
LogP4.69
Rot. Bonds8

About (2S,4R,5R)-2-(dibenzylamino)-5-hydroxy-4,6,6-trimethylheptan-3-one

(2S,4R,5R)-2-(dibenzylamino)-5-hydroxy-4,6,6-trimethylheptan-3-one (PubChem CID 11760351) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is (2S,4R,5R)-2-(dibenzylamino)-5-hydroxy-4,6,6-trimethylheptan-3-one.

Molecular Properties

Compound Name(2S,4R,5R)-2-(dibenzylamino)-5-hydroxy-4,6,6-trimethylheptan-3-one
PubChem CID11760351
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name(2S,4R,5R)-2-(dibenzylamino)-5-hydroxy-4,6,6-trimethylheptan-3-one
SMILESC[C@@H](C(=O)[C@H](C)N(Cc1ccccc1)Cc1ccccc1)[C@@H](O)C(C)(C)C
InChIInChI=1S/C24H33NO2/c1-18(23(27)24(3,4)5)22(26)19(2)25(16-20-12-8-6-9-13-20)17-21-14-10-7-11-15-21/h6-15,18-19,23,27H,16-17H2,1-5H3/t18-,19-,23+/m0/s1
InChIKeyGWSFDRJDYNOQMM-SFYKDHMMSA-N
XLogP4.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4R,5R)-2-(dibenzylamino)-5-hydroxy-4,6,6-trimethylheptan-3-one with MolForge

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Related Compounds

N-(diphenyl)methyl-3(S)-[1'(R)-hydroxoethyl]-4(S)-[2",2"-dimethyl-1"-oxopropyl]-2-azetidinone
CID 11382972
methyl (3R,4S)-4-(dibenzylamino)-3-hydroxypentanoate
CID 13949676
(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
(2S,5R)-2-(dibenzylamino)-5-hydroxyhept-6-en-3-one
CID 10892663
(1R,2R,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one
CID 11176699
(2S,4S,5S)-2-(dibenzylamino)-5-hydroxy-4-methylheptan-3-one
CID 11233077
(2S,4R,5S)-2-(dibenzylamino)-5-hydroxy-4-methylheptan-3-one
CID 11244695
(2S,4S,5R)-2-(dibenzylamino)-5-hydroxy-4,6-dimethylhept-6-en-3-one
CID 11348713
(2S,4R,5R)-2-(dibenzylamino)-5-hydroxy-4,6-dimethylhept-6-en-3-one
CID 11394016
(1R,2S,4S)-4-(dibenzylamino)-1-hydroxy-2-methyl-1-phenylpentan-3-one
CID 11486021
(2S,4S,5S)-2-(dibenzylamino)-5-hydroxy-4-methylhexan-3-one
CID 12079414

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-2-(dibenzylamino)-5-hydroxy-4,6,6-trimethylheptan-3-one?
The IUPAC name of (2S,4R,5R)-2-(dibenzylamino)-5-hydroxy-4,6,6-trimethylheptan-3-one (CID 11760351) is (2S,4R,5R)-2-(dibenzylamino)-5-hydroxy-4,6,6-trimethylheptan-3-one.
What is the SMILES notation for (2S,4R,5R)-2-(dibenzylamino)-5-hydroxy-4,6,6-trimethylheptan-3-one?
The canonical SMILES for (2S,4R,5R)-2-(dibenzylamino)-5-hydroxy-4,6,6-trimethylheptan-3-one is C[C@@H](C(=O)[C@H](C)N(Cc1ccccc1)Cc1ccccc1)[C@@H](O)C(C)(C)C.
What is the InChIKey of (2S,4R,5R)-2-(dibenzylamino)-5-hydroxy-4,6,6-trimethylheptan-3-one?
The InChIKey is GWSFDRJDYNOQMM-SFYKDHMMSA-N. The full InChI is InChI=1S/C24H33NO2/c1-18(23(27)24(3,4)5)22(26)19(2)25(16-20-12-8-6-9-13-20)17-21-14-10-7-11-15-21/h6-15,18-19,23,27H,16-17H2,1-5H3/t18-,19-,23+/m0/s1.
What are the key properties of (2S,4R,5R)-2-(dibenzylamino)-5-hydroxy-4,6,6-trimethylheptan-3-one?
(2S,4R,5R)-2-(dibenzylamino)-5-hydroxy-4,6,6-trimethylheptan-3-one has a molecular weight of 367.53 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-2-(dibenzylamino)-5-hydroxy-4,6,6-trimethylheptan-3-one is sourced from PubChem (CID 11760351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).