(2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-pyridin-2-ylpropanamide

C22H22N2O4 — CID 70689469

IUPAC(2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-pyridin-2-ylpropanamide
SMILESC[C@](OCc1ccc(-c2ccccc2)cc1)(C(=O)NO)[C@@H](O)c1ccccn1
InChIInChI=1S/C22H22N2O4/c1-22(21(26)24-27,20(25)19-9-5-6-14-23-19)28-15-16-10-12-18(13-11-16)17-7-3-2-4-8-17/h2-14,20,25,27H,15H2,1H3,(H,24,26)/t20-,22+/m0/s1
InChIKeyJGQMWGGZNFCDEO-RBBKRZOGSA-N
MW378.43 g/mol
LogP3.26
Rot. Bonds7

About (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-pyridin-2-ylpropanamide

(2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-pyridin-2-ylpropanamide (PubChem CID 70689469) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-pyridin-2-ylpropanamide
PubChem CID70689469
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-pyridin-2-ylpropanamide
SMILESC[C@](OCc1ccc(-c2ccccc2)cc1)(C(=O)NO)[C@@H](O)c1ccccn1
InChIInChI=1S/C22H22N2O4/c1-22(21(26)24-27,20(25)19-9-5-6-14-23-19)28-15-16-10-12-18(13-11-16)17-7-3-2-4-8-17/h2-14,20,25,27H,15H2,1H3,(H,24,26)/t20-,22+/m0/s1
InChIKeyJGQMWGGZNFCDEO-RBBKRZOGSA-N
XLogP3.26
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-pyridin-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-N,3-dihydroxy-2-methyl-3-(1,2-oxazol-3-yl)-2-[(4-phenylphenyl)methoxy]propanamide
CID 70687412
(2S,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-(1,3-thiazol-5-yl)propanamide
CID 45255464
(2S,3S)-N,3-dihydroxy-3-imidazo[1,2-a]pyridin-2-yl-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide
CID 87355570
(2S,3R)-N,3-dihydroxy-3-imidazo[1,2-a]pyridin-2-yl-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide
CID 45255663
(2S,3R)-2-[[4-(4-fluorophenyl)phenyl]methoxy]-N,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methylpropanamide
CID 45255855
(2S,3S)-3-(2,5-dimethyl-1,3-oxazolidin-4-yl)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]propanamide
CID 87355562
(3S,4S)-1,4-dihydroxy-3-methyl-4-phenyl-3-[(4-phenylphenyl)methoxy]butan-2-one
CID 58354450
N,3-dihydroxy-3-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-methyl-2-[[4-(5-methyl-2-pyridinyl)phenyl]methoxy]propanamide
CID 140640963
(3S,4S)-1,4-dihydroxy-3-methyl-4-(5-phenyl-1,2-oxazol-3-yl)-3-[(4-phenylphenyl)methoxy]butan-2-one
CID 58354431
N-(2-methoxy-1-pyridin-2-ylethyl)-2-(4-phenylphenyl)acetamide
CID 24765018
tris[[3-[(1S,2S)-1-hydroxy-2-methyl-3-nitroso-3-oxo-2-[(4-phenylphenyl)methoxy]propyl]-1,2-oxazol-5-yl]methyl] phosphate
CID 90120498
(2R)-2-[(4-phenylphenyl)methoxy]propanoic acid
CID 104875216

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-pyridin-2-ylpropanamide?
The IUPAC name of (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-pyridin-2-ylpropanamide (CID 70689469) is (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-pyridin-2-ylpropanamide?
The canonical SMILES for (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-pyridin-2-ylpropanamide is C[C@](OCc1ccc(-c2ccccc2)cc1)(C(=O)NO)[C@@H](O)c1ccccn1.
What is the InChIKey of (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-pyridin-2-ylpropanamide?
The InChIKey is JGQMWGGZNFCDEO-RBBKRZOGSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-22(21(26)24-27,20(25)19-9-5-6-14-23-19)28-15-16-10-12-18(13-11-16)17-7-3-2-4-8-17/h2-14,20,25,27H,15H2,1H3,(H,24,26)/t20-,22+/m0/s1.
What are the key properties of (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-pyridin-2-ylpropanamide?
(2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-pyridin-2-ylpropanamide has a molecular weight of 378.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 70689469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).