N'-hydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanediamide

C25H32N4O4 — CID 54428886

IUPACN'-hydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanediamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)C(CC(=O)NO)N1C=CN(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C25H32N4O4/c1-25(2,3)22(16-30)26-24(32)21(15-23(31)27-33)29-14-13-28(17-29)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14,21-22,30,33H,15-17H2,1-3H3,(H,26,32)(H,27,31)/t21?,22-/m1/s1
InChIKeyWGBVZOVDUUTHQV-FOIFJWKZSA-N
MW452.56 g/mol
LogP2.69
Rot. Bonds8

About N'-hydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanediamide

N'-hydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanediamide (PubChem CID 54428886) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N'-hydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanediamide
PubChem CID54428886
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN'-hydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanediamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)C(CC(=O)NO)N1C=CN(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C25H32N4O4/c1-25(2,3)22(16-30)26-24(32)21(15-23(31)27-33)29-14-13-28(17-29)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14,21-22,30,33H,15-17H2,1-3H3,(H,26,32)(H,27,31)/t21?,22-/m1/s1
InChIKeyWGBVZOVDUUTHQV-FOIFJWKZSA-N
XLogP2.69
TPSA105.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 N'-hydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanediamide?
The IUPAC name of N'-hydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanediamide (CID 54428886) is N'-hydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanediamide.
What is the SMILES notation for N'-hydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanediamide?
The canonical SMILES for N'-hydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanediamide is CC(C)(C)[C@@H](CO)NC(=O)C(CC(=O)NO)N1C=CN(c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of N'-hydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanediamide?
The InChIKey is WGBVZOVDUUTHQV-FOIFJWKZSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-25(2,3)22(16-30)26-24(32)21(15-23(31)27-33)29-14-13-28(17-29)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14,21-22,30,33H,15-17H2,1-3H3,(H,26,32)(H,27,31)/t21?,22-/m1/s1.
What are the key properties of N'-hydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanediamide?
N'-hydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanediamide has a molecular weight of 452.56 g/mol, XLogP of 2.69, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-[3-(4-phenylphenyl)-2H-imidazol-1-yl]butanediamide is sourced from PubChem (CID 54428886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).