(2S,3S)-N,3-dihydroxy-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide

C21H27NO4 — CID 70681061

IUPAC(2S,3S)-N,3-dihydroxy-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide
SMILESCC(C)C[C@H](O)[C@](C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C21H27NO4/c1-15(2)13-19(23)21(3,20(24)22-25)26-14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19,23,25H,13-14H2,1-3H3,(H,22,24)/t19-,21-/m0/s1
InChIKeyMRERSUCOPYRHOW-FPOVZHCZSA-N
MW357.45 g/mol
LogP3.54
Rot. Bonds8

About (2S,3S)-N,3-dihydroxy-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide

(2S,3S)-N,3-dihydroxy-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide (PubChem CID 70681061) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2S,3S)-N,3-dihydroxy-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide.

Molecular Properties

Compound Name(2S,3S)-N,3-dihydroxy-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide
PubChem CID70681061
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name(2S,3S)-N,3-dihydroxy-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide
SMILESCC(C)C[C@H](O)[C@](C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C21H27NO4/c1-15(2)13-19(23)21(3,20(24)22-25)26-14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19,23,25H,13-14H2,1-3H3,(H,22,24)/t19-,21-/m0/s1
InChIKeyMRERSUCOPYRHOW-FPOVZHCZSA-N
XLogP3.54
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.54
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-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide?
The IUPAC name of (2S,3S)-N,3-dihydroxy-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide (CID 70681061) is (2S,3S)-N,3-dihydroxy-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide.
What is the SMILES notation for (2S,3S)-N,3-dihydroxy-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide?
The canonical SMILES for (2S,3S)-N,3-dihydroxy-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide is CC(C)C[C@H](O)[C@](C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of (2S,3S)-N,3-dihydroxy-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide?
The InChIKey is MRERSUCOPYRHOW-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H27NO4/c1-15(2)13-19(23)21(3,20(24)22-25)26-14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19,23,25H,13-14H2,1-3H3,(H,22,24)/t19-,21-/m0/s1.
What are the key properties of (2S,3S)-N,3-dihydroxy-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide?
(2S,3S)-N,3-dihydroxy-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide has a molecular weight of 357.45 g/mol, XLogP of 3.54, 8 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-2,5-dimethyl-2-[(4-phenylphenyl)methoxy]hexanamide is sourced from PubChem (CID 70681061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).