(5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide

C17H26N2O4 — CID 21345551

IUPAC(5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide
SMILESCC(O)(CC[C@H](C[C@@H](O)CCc1ccccc1)C(N)=O)C(N)=O
InChIInChI=1S/C17H26N2O4/c1-17(23,16(19)22)10-9-13(15(18)21)11-14(20)8-7-12-5-3-2-4-6-12/h2-6,13-14,20,23H,7-11H2,1H3,(H2,18,21)(H2,19,22)/t13-,14+,17?/m1/s1
InChIKeyOHFWDMLPPSPOQQ-LICQEQMYSA-N
MW322.40 g/mol
LogP0.49
Rot. Bonds10

About (5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide

(5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide (PubChem CID 21345551) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is (5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide.

Molecular Properties

Compound Name(5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide
PubChem CID21345551
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name(5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide
SMILESCC(O)(CC[C@H](C[C@@H](O)CCc1ccccc1)C(N)=O)C(N)=O
InChIInChI=1S/C17H26N2O4/c1-17(23,16(19)22)10-9-13(15(18)21)11-14(20)8-7-12-5-3-2-4-6-12/h2-6,13-14,20,23H,7-11H2,1H3,(H2,18,21)(H2,19,22)/t13-,14+,17?/m1/s1
InChIKeyOHFWDMLPPSPOQQ-LICQEQMYSA-N
XLogP0.49
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-[(2S)-4-(3-fluorophenyl)-2-hydroxybutyl]-2-hydroxy-2-methylhexanediamide
CID 10315202
(5R,7S)-2,7-dihydroxy-2-methyl-9-phenyl-5-sulfamoylnonanamide
CID 20577858
(5R)-N',2-dihydroxy-5-[(2S)-2-hydroxy-4-naphthalen-2-ylbutyl]-2-methylhexanediamide
CID 21345614
2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide
CID 22452343
(5R)-2-fluoro-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methyl-N'-(2-thiophen-2-ylethyl)hexanediamide
CID 21345602
(5R)-N'-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide
CID 173120771
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295
(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide
CID 173243874
(2-hydroxy-4-phenylbutyl) carbamate
CID 67337427
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
2-fluoro-5-[2-hydroxy-4-(1,3-thiazol-4-yl)butyl]-2-methylhexanediamide
CID 22452517
2-(2-phenylethyl)propanediamide
CID 66660020

Frequently Asked Questions

What is the IUPAC name of (5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide?
The IUPAC name of (5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide (CID 21345551) is (5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide.
What is the SMILES notation for (5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide?
The canonical SMILES for (5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide is CC(O)(CC[C@H](C[C@@H](O)CCc1ccccc1)C(N)=O)C(N)=O.
What is the InChIKey of (5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide?
The InChIKey is OHFWDMLPPSPOQQ-LICQEQMYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(23,16(19)22)10-9-13(15(18)21)11-14(20)8-7-12-5-3-2-4-6-12/h2-6,13-14,20,23H,7-11H2,1H3,(H2,18,21)(H2,19,22)/t13-,14+,17?/m1/s1.
What are the key properties of (5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide?
(5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide has a molecular weight of 322.40 g/mol, XLogP of 0.49, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide is sourced from PubChem (CID 21345551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).