(3S,5R)-3-hydroxy-2,5-bis(phenylmethoxy)hexanediamide

C20H24N2O5 — CID 70241702

IUPAC(3S,5R)-3-hydroxy-2,5-bis(phenylmethoxy)hexanediamide
SMILESNC(=O)C(OCc1ccccc1)[C@@H](O)C[C@@H](OCc1ccccc1)C(N)=O
InChIInChI=1S/C20H24N2O5/c21-19(24)17(26-12-14-7-3-1-4-8-14)11-16(23)18(20(22)25)27-13-15-9-5-2-6-10-15/h1-10,16-18,23H,11-13H2,(H2,21,24)(H2,22,25)/t16-,17+,18?/m0/s1
InChIKeyJXEUCNUYHMNUBH-MYFVLZFPSA-N
MW372.42 g/mol
LogP0.88
Rot. Bonds11

About (3S,5R)-3-hydroxy-2,5-bis(phenylmethoxy)hexanediamide

(3S,5R)-3-hydroxy-2,5-bis(phenylmethoxy)hexanediamide (PubChem CID 70241702) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is (3S,5R)-3-hydroxy-2,5-bis(phenylmethoxy)hexanediamide.

Molecular Properties

Compound Name(3S,5R)-3-hydroxy-2,5-bis(phenylmethoxy)hexanediamide
PubChem CID70241702
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name(3S,5R)-3-hydroxy-2,5-bis(phenylmethoxy)hexanediamide
SMILESNC(=O)C(OCc1ccccc1)[C@@H](O)C[C@@H](OCc1ccccc1)C(N)=O
InChIInChI=1S/C20H24N2O5/c21-19(24)17(26-12-14-7-3-1-4-8-14)11-16(23)18(20(22)25)27-13-15-9-5-2-6-10-15/h1-10,16-18,23H,11-13H2,(H2,21,24)(H2,22,25)/t16-,17+,18?/m0/s1
InChIKeyJXEUCNUYHMNUBH-MYFVLZFPSA-N
XLogP0.88
TPSA124.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-methyl-2-phenylmethoxypentanamide
CID 141033880
(2R)-2-amino-2-phenylmethoxyacetamide
CID 129192787
diethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate
CID 173467023
2-phenylmethoxybutanoic acid
CID 11816388
2-amino-4-hydroxy-4-phenylmethoxybutanoic acid
CID 130311408
(3R)-5-methyl-3-phenylmethoxyhexan-2-one
CID 11042263
methyl 3-methyl-2-phenylmethoxybutanoate
CID 13289114
methyl (2S)-3-methyl-2-phenylmethoxybutanoate
CID 11096185
methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate
CID 12965597
methyl (2R,3S,4R)-4-hydroxy-3-methyl-2-phenylmethoxypentanoate
CID 11791672
3,4-dihydroxy-2,5-bis[(4-thiophen-2-ylphenyl)methoxy]hexanediamide
CID 141004447
benzyl (2S)-3-phenyl-2-phenylmethoxypropanoate;(2S)-3-phenyl-2-phenylmethoxypropanoic acid;(2S)-3-phenylpropane-1,1,2-triol
CID 159690571

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-hydroxy-2,5-bis(phenylmethoxy)hexanediamide?
The IUPAC name of (3S,5R)-3-hydroxy-2,5-bis(phenylmethoxy)hexanediamide (CID 70241702) is (3S,5R)-3-hydroxy-2,5-bis(phenylmethoxy)hexanediamide.
What is the SMILES notation for (3S,5R)-3-hydroxy-2,5-bis(phenylmethoxy)hexanediamide?
The canonical SMILES for (3S,5R)-3-hydroxy-2,5-bis(phenylmethoxy)hexanediamide is NC(=O)C(OCc1ccccc1)[C@@H](O)C[C@@H](OCc1ccccc1)C(N)=O.
What is the InChIKey of (3S,5R)-3-hydroxy-2,5-bis(phenylmethoxy)hexanediamide?
The InChIKey is JXEUCNUYHMNUBH-MYFVLZFPSA-N. The full InChI is InChI=1S/C20H24N2O5/c21-19(24)17(26-12-14-7-3-1-4-8-14)11-16(23)18(20(22)25)27-13-15-9-5-2-6-10-15/h1-10,16-18,23H,11-13H2,(H2,21,24)(H2,22,25)/t16-,17+,18?/m0/s1.
What are the key properties of (3S,5R)-3-hydroxy-2,5-bis(phenylmethoxy)hexanediamide?
(3S,5R)-3-hydroxy-2,5-bis(phenylmethoxy)hexanediamide has a molecular weight of 372.42 g/mol, XLogP of 0.88, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-hydroxy-2,5-bis(phenylmethoxy)hexanediamide is sourced from PubChem (CID 70241702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).