5-[(1R,3R)-1-amino-1-hydroxy-3-methyl-5-phenylpentyl]-2-hydroxybenzamide

C19H24N2O3 — CID 70021190

IUPAC5-[(1R,3R)-1-amino-1-hydroxy-3-methyl-5-phenylpentyl]-2-hydroxybenzamide
SMILESC[C@H](CCc1ccccc1)C[C@@](N)(O)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)12-19(21,24)15-9-10-17(22)16(11-15)18(20)23/h2-6,9-11,13,22,24H,7-8,12,21H2,1H3,(H2,20,23)/t13-,19-/m1/s1
InChIKeyZKMXTNQLTKRGFF-BFUOFWGJSA-N
MW328.41 g/mol
LogP2.25
Rot. Bonds7

About 5-[(1R,3R)-1-amino-1-hydroxy-3-methyl-5-phenylpentyl]-2-hydroxybenzamide

5-[(1R,3R)-1-amino-1-hydroxy-3-methyl-5-phenylpentyl]-2-hydroxybenzamide (PubChem CID 70021190) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-[(1R,3R)-1-amino-1-hydroxy-3-methyl-5-phenylpentyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[(1R,3R)-1-amino-1-hydroxy-3-methyl-5-phenylpentyl]-2-hydroxybenzamide
PubChem CID70021190
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name5-[(1R,3R)-1-amino-1-hydroxy-3-methyl-5-phenylpentyl]-2-hydroxybenzamide
SMILESC[C@H](CCc1ccccc1)C[C@@](N)(O)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)12-19(21,24)15-9-10-17(22)16(11-15)18(20)23/h2-6,9-11,13,22,24H,7-8,12,21H2,1H3,(H2,20,23)/t13-,19-/m1/s1
InChIKeyZKMXTNQLTKRGFF-BFUOFWGJSA-N
XLogP2.25
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide
CID 13424634
[(2S)-2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]-[(2S)-4-phenylbutan-2-yl]azanium
CID 41097888
3-methyl-5-phenylpentanamide
CID 66761020
2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide
CID 5107886
2,4-dimethyl-6-phenylhexanoic acid
CID 174481116
2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 42909032
2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide
CID 103600369
2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid
CID 151774149
5-[2-(3-carbamoyl-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxybenzamide
CID 171061656
(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472
(2R)-2-(4-tert-butylphenyl)-4-phenylbutanamide
CID 129383585
2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide
CID 13116906

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,3R)-1-amino-1-hydroxy-3-methyl-5-phenylpentyl]-2-hydroxybenzamide?
The IUPAC name of 5-[(1R,3R)-1-amino-1-hydroxy-3-methyl-5-phenylpentyl]-2-hydroxybenzamide (CID 70021190) is 5-[(1R,3R)-1-amino-1-hydroxy-3-methyl-5-phenylpentyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[(1R,3R)-1-amino-1-hydroxy-3-methyl-5-phenylpentyl]-2-hydroxybenzamide?
The canonical SMILES for 5-[(1R,3R)-1-amino-1-hydroxy-3-methyl-5-phenylpentyl]-2-hydroxybenzamide is C[C@H](CCc1ccccc1)C[C@@](N)(O)c1ccc(O)c(C(N)=O)c1.
What is the InChIKey of 5-[(1R,3R)-1-amino-1-hydroxy-3-methyl-5-phenylpentyl]-2-hydroxybenzamide?
The InChIKey is ZKMXTNQLTKRGFF-BFUOFWGJSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)12-19(21,24)15-9-10-17(22)16(11-15)18(20)23/h2-6,9-11,13,22,24H,7-8,12,21H2,1H3,(H2,20,23)/t13-,19-/m1/s1.
What are the key properties of 5-[(1R,3R)-1-amino-1-hydroxy-3-methyl-5-phenylpentyl]-2-hydroxybenzamide?
5-[(1R,3R)-1-amino-1-hydroxy-3-methyl-5-phenylpentyl]-2-hydroxybenzamide has a molecular weight of 328.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,3R)-1-amino-1-hydroxy-3-methyl-5-phenylpentyl]-2-hydroxybenzamide is sourced from PubChem (CID 70021190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).