(2S,3S)-N,3-dihydroxy-2-methyl-3-phenyl-2-[(4-phenylphenyl)methoxy]propanamide

C23H23NO4 — CID 70693661

IUPAC(2S,3S)-N,3-dihydroxy-2-methyl-3-phenyl-2-[(4-phenylphenyl)methoxy]propanamide
SMILESC[C@@](OCc1ccc(-c2ccccc2)cc1)(C(=O)NO)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H23NO4/c1-23(22(26)24-27,21(25)20-10-6-3-7-11-20)28-16-17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15,21,25,27H,16H2,1H3,(H,24,26)/t21-,23-/m0/s1
InChIKeyWFVASGYQNPHMCF-GMAHTHKFSA-N
MW377.44 g/mol
LogP3.87
Rot. Bonds7

About (2S,3S)-N,3-dihydroxy-2-methyl-3-phenyl-2-[(4-phenylphenyl)methoxy]propanamide

(2S,3S)-N,3-dihydroxy-2-methyl-3-phenyl-2-[(4-phenylphenyl)methoxy]propanamide (PubChem CID 70693661) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is (2S,3S)-N,3-dihydroxy-2-methyl-3-phenyl-2-[(4-phenylphenyl)methoxy]propanamide.

Molecular Properties

Compound Name(2S,3S)-N,3-dihydroxy-2-methyl-3-phenyl-2-[(4-phenylphenyl)methoxy]propanamide
PubChem CID70693661
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name(2S,3S)-N,3-dihydroxy-2-methyl-3-phenyl-2-[(4-phenylphenyl)methoxy]propanamide
SMILESC[C@@](OCc1ccc(-c2ccccc2)cc1)(C(=O)NO)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H23NO4/c1-23(22(26)24-27,21(25)20-10-6-3-7-11-20)28-16-17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15,21,25,27H,16H2,1H3,(H,24,26)/t21-,23-/m0/s1
InChIKeyWFVASGYQNPHMCF-GMAHTHKFSA-N
XLogP3.87
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N,3-dihydroxy-2-methyl-3-phenyl-2-[(4-phenylphenyl)methoxy]propanamide?
The IUPAC name of (2S,3S)-N,3-dihydroxy-2-methyl-3-phenyl-2-[(4-phenylphenyl)methoxy]propanamide (CID 70693661) is (2S,3S)-N,3-dihydroxy-2-methyl-3-phenyl-2-[(4-phenylphenyl)methoxy]propanamide.
What is the SMILES notation for (2S,3S)-N,3-dihydroxy-2-methyl-3-phenyl-2-[(4-phenylphenyl)methoxy]propanamide?
The canonical SMILES for (2S,3S)-N,3-dihydroxy-2-methyl-3-phenyl-2-[(4-phenylphenyl)methoxy]propanamide is C[C@@](OCc1ccc(-c2ccccc2)cc1)(C(=O)NO)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S,3S)-N,3-dihydroxy-2-methyl-3-phenyl-2-[(4-phenylphenyl)methoxy]propanamide?
The InChIKey is WFVASGYQNPHMCF-GMAHTHKFSA-N. The full InChI is InChI=1S/C23H23NO4/c1-23(22(26)24-27,21(25)20-10-6-3-7-11-20)28-16-17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15,21,25,27H,16H2,1H3,(H,24,26)/t21-,23-/m0/s1.
What are the key properties of (2S,3S)-N,3-dihydroxy-2-methyl-3-phenyl-2-[(4-phenylphenyl)methoxy]propanamide?
(2S,3S)-N,3-dihydroxy-2-methyl-3-phenyl-2-[(4-phenylphenyl)methoxy]propanamide has a molecular weight of 377.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N,3-dihydroxy-2-methyl-3-phenyl-2-[(4-phenylphenyl)methoxy]propanamide is sourced from PubChem (CID 70693661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).