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

C20H25NO4 — CID 45254637

IUPAC(2S,3S)-N,3-dihydroxy-2,4-dimethyl-2-[(4-phenylphenyl)methoxy]pentanamide
SMILESCC(C)[C@H](O)[C@](C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C20H25NO4/c1-14(2)18(22)20(3,19(23)21-24)25-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18,22,24H,13H2,1-3H3,(H,21,23)/t18-,20-/m0/s1
InChIKeyOEIHVBMZXNURRL-ICSRJNTNSA-N
MW343.42 g/mol
LogP3.15
Rot. Bonds7

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

(2S,3S)-N,3-dihydroxy-2,4-dimethyl-2-[(4-phenylphenyl)methoxy]pentanamide (PubChem CID 45254637) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is (2S,3S)-N,3-dihydroxy-2,4-dimethyl-2-[(4-phenylphenyl)methoxy]pentanamide.

Molecular Properties

Compound Name(2S,3S)-N,3-dihydroxy-2,4-dimethyl-2-[(4-phenylphenyl)methoxy]pentanamide
PubChem CID45254637
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name(2S,3S)-N,3-dihydroxy-2,4-dimethyl-2-[(4-phenylphenyl)methoxy]pentanamide
SMILESCC(C)[C@H](O)[C@](C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C20H25NO4/c1-14(2)18(22)20(3,19(23)21-24)25-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18,22,24H,13H2,1-3H3,(H,21,23)/t18-,20-/m0/s1
InChIKeyOEIHVBMZXNURRL-ICSRJNTNSA-N
XLogP3.15
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.15
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-2,4-dimethyl-2-[(4-phenylphenyl)methoxy]pentanamide?
The IUPAC name of (2S,3S)-N,3-dihydroxy-2,4-dimethyl-2-[(4-phenylphenyl)methoxy]pentanamide (CID 45254637) is (2S,3S)-N,3-dihydroxy-2,4-dimethyl-2-[(4-phenylphenyl)methoxy]pentanamide.
What is the SMILES notation for (2S,3S)-N,3-dihydroxy-2,4-dimethyl-2-[(4-phenylphenyl)methoxy]pentanamide?
The canonical SMILES for (2S,3S)-N,3-dihydroxy-2,4-dimethyl-2-[(4-phenylphenyl)methoxy]pentanamide is CC(C)[C@H](O)[C@](C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of (2S,3S)-N,3-dihydroxy-2,4-dimethyl-2-[(4-phenylphenyl)methoxy]pentanamide?
The InChIKey is OEIHVBMZXNURRL-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H25NO4/c1-14(2)18(22)20(3,19(23)21-24)25-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18,22,24H,13H2,1-3H3,(H,21,23)/t18-,20-/m0/s1.
What are the key properties of (2S,3S)-N,3-dihydroxy-2,4-dimethyl-2-[(4-phenylphenyl)methoxy]pentanamide?
(2S,3S)-N,3-dihydroxy-2,4-dimethyl-2-[(4-phenylphenyl)methoxy]pentanamide has a molecular weight of 343.42 g/mol, XLogP of 3.15, 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-2,4-dimethyl-2-[(4-phenylphenyl)methoxy]pentanamide is sourced from PubChem (CID 45254637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).