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

C19H23NO4 — CID 70693659

IUPAC(2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide
SMILESCC[C@H](O)[C@@](C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C19H23NO4/c1-3-17(21)19(2,18(22)20-23)24-13-14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-12,17,21,23H,3,13H2,1-2H3,(H,20,22)/t17-,19+/m0/s1
InChIKeyVKJROWRLVCWQPU-PKOBYXMFSA-N
MW329.40 g/mol
LogP2.91
Rot. Bonds7

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

(2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide (PubChem CID 70693659) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide.

Molecular Properties

Compound Name(2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide
PubChem CID70693659
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide
SMILESCC[C@H](O)[C@@](C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C19H23NO4/c1-3-17(21)19(2,18(22)20-23)24-13-14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-12,17,21,23H,3,13H2,1-2H3,(H,20,22)/t17-,19+/m0/s1
InChIKeyVKJROWRLVCWQPU-PKOBYXMFSA-N
XLogP2.91
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.91
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 (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide?
The IUPAC name of (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide (CID 70693659) is (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide.
What is the SMILES notation for (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide?
The canonical SMILES for (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide is CC[C@H](O)[C@@](C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide?
The InChIKey is VKJROWRLVCWQPU-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H23NO4/c1-3-17(21)19(2,18(22)20-23)24-13-14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-12,17,21,23H,3,13H2,1-2H3,(H,20,22)/t17-,19+/m0/s1.
What are the key properties of (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide?
(2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide has a molecular weight of 329.40 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide is sourced from PubChem (CID 70693659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).