5-amino-4-hydroxy-2-[(2-hydroxy-5-methylphenyl)methyl]-6-phenylhexanamide

C20H26N2O3 — CID 68900563

IUPAC5-amino-4-hydroxy-2-[(2-hydroxy-5-methylphenyl)methyl]-6-phenylhexanamide
SMILESCc1ccc(O)c(CC(CC(O)C(N)Cc2ccccc2)C(N)=O)c1
InChIInChI=1S/C20H26N2O3/c1-13-7-8-18(23)15(9-13)11-16(20(22)25)12-19(24)17(21)10-14-5-3-2-4-6-14/h2-9,16-17,19,23-24H,10-12,21H2,1H3,(H2,22,25)
InChIKeyGIXSJIHELVNOFH-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.67
Rot. Bonds8

About 5-amino-4-hydroxy-2-[(2-hydroxy-5-methylphenyl)methyl]-6-phenylhexanamide

5-amino-4-hydroxy-2-[(2-hydroxy-5-methylphenyl)methyl]-6-phenylhexanamide (PubChem CID 68900563) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-amino-4-hydroxy-2-[(2-hydroxy-5-methylphenyl)methyl]-6-phenylhexanamide.

Molecular Properties

Compound Name5-amino-4-hydroxy-2-[(2-hydroxy-5-methylphenyl)methyl]-6-phenylhexanamide
PubChem CID68900563
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name5-amino-4-hydroxy-2-[(2-hydroxy-5-methylphenyl)methyl]-6-phenylhexanamide
SMILESCc1ccc(O)c(CC(CC(O)C(N)Cc2ccccc2)C(N)=O)c1
InChIInChI=1S/C20H26N2O3/c1-13-7-8-18(23)15(9-13)11-16(20(22)25)12-19(24)17(21)10-14-5-3-2-4-6-14/h2-9,16-17,19,23-24H,10-12,21H2,1H3,(H2,22,25)
InChIKeyGIXSJIHELVNOFH-UHFFFAOYSA-N
XLogP1.67
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide
CID 57148272
(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973
(2R,4S,5S)-5-amino-2-benzyl-6-(4-fluorophenyl)-4-hydroxyhexanoic acid
CID 22874192
[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl] carbamate
CID 69257317
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
(2S,4S,5S)-5-amino-4-hydroxy-2-(1-hydroxy-4,4-dimethylcyclohexyl)-6-phenylhexanamide
CID 68897246
(2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide
CID 68900812
(2S,4S,5S)-5-amino-2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-6-phenylhexanamide
CID 68898958
(2R,4S,5S)-5-amino-4-hydroxy-6-(4-phenylmethoxyphenyl)-2-[(4-phenylmethoxyphenyl)methyl]hexanoic acid
CID 22874222
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
(2R,4S,5S)-5-amino-4-hydroxy-6-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]hexanoic acid
CID 22874196

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-2-[(2-hydroxy-5-methylphenyl)methyl]-6-phenylhexanamide?
The IUPAC name of 5-amino-4-hydroxy-2-[(2-hydroxy-5-methylphenyl)methyl]-6-phenylhexanamide (CID 68900563) is 5-amino-4-hydroxy-2-[(2-hydroxy-5-methylphenyl)methyl]-6-phenylhexanamide.
What is the SMILES notation for 5-amino-4-hydroxy-2-[(2-hydroxy-5-methylphenyl)methyl]-6-phenylhexanamide?
The canonical SMILES for 5-amino-4-hydroxy-2-[(2-hydroxy-5-methylphenyl)methyl]-6-phenylhexanamide is Cc1ccc(O)c(CC(CC(O)C(N)Cc2ccccc2)C(N)=O)c1.
What is the InChIKey of 5-amino-4-hydroxy-2-[(2-hydroxy-5-methylphenyl)methyl]-6-phenylhexanamide?
The InChIKey is GIXSJIHELVNOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13-7-8-18(23)15(9-13)11-16(20(22)25)12-19(24)17(21)10-14-5-3-2-4-6-14/h2-9,16-17,19,23-24H,10-12,21H2,1H3,(H2,22,25).
What are the key properties of 5-amino-4-hydroxy-2-[(2-hydroxy-5-methylphenyl)methyl]-6-phenylhexanamide?
5-amino-4-hydroxy-2-[(2-hydroxy-5-methylphenyl)methyl]-6-phenylhexanamide has a molecular weight of 342.44 g/mol, XLogP of 1.67, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxy-2-[(2-hydroxy-5-methylphenyl)methyl]-6-phenylhexanamide is sourced from PubChem (CID 68900563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).