N'-hydroxy-N-(2-hydroxycyclohexyl)-2-[3-(4-phenylphenyl)propyl]butanediamide

C25H32N2O4 — CID 54175331

IUPACN'-hydroxy-N-(2-hydroxycyclohexyl)-2-[3-(4-phenylphenyl)propyl]butanediamide
SMILESO=C(CC(CCCc1ccc(-c2ccccc2)cc1)C(=O)NC1CCCCC1O)NO
InChIInChI=1S/C25H32N2O4/c28-23-12-5-4-11-22(23)26-25(30)21(17-24(29)27-31)10-6-7-18-13-15-20(16-14-18)19-8-2-1-3-9-19/h1-3,8-9,13-16,21-23,28,31H,4-7,10-12,17H2,(H,26,30)(H,27,29)
InChIKeyOXXOFRIJYPJYLA-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.61
Rot. Bonds9

About N'-hydroxy-N-(2-hydroxycyclohexyl)-2-[3-(4-phenylphenyl)propyl]butanediamide

N'-hydroxy-N-(2-hydroxycyclohexyl)-2-[3-(4-phenylphenyl)propyl]butanediamide (PubChem CID 54175331) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N'-hydroxy-N-(2-hydroxycyclohexyl)-2-[3-(4-phenylphenyl)propyl]butanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(2-hydroxycyclohexyl)-2-[3-(4-phenylphenyl)propyl]butanediamide
PubChem CID54175331
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN'-hydroxy-N-(2-hydroxycyclohexyl)-2-[3-(4-phenylphenyl)propyl]butanediamide
SMILESO=C(CC(CCCc1ccc(-c2ccccc2)cc1)C(=O)NC1CCCCC1O)NO
InChIInChI=1S/C25H32N2O4/c28-23-12-5-4-11-22(23)26-25(30)21(17-24(29)27-31)10-6-7-18-13-15-20(16-14-18)19-8-2-1-3-9-19/h1-3,8-9,13-16,21-23,28,31H,4-7,10-12,17H2,(H,26,30)(H,27,29)
InChIKeyOXXOFRIJYPJYLA-UHFFFAOYSA-N
XLogP3.61
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.61
H-Bond Donors ≤ 54
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 N'-hydroxy-N-(2-hydroxycyclohexyl)-2-[3-(4-phenylphenyl)propyl]butanediamide?
The IUPAC name of N'-hydroxy-N-(2-hydroxycyclohexyl)-2-[3-(4-phenylphenyl)propyl]butanediamide (CID 54175331) is N'-hydroxy-N-(2-hydroxycyclohexyl)-2-[3-(4-phenylphenyl)propyl]butanediamide.
What is the SMILES notation for N'-hydroxy-N-(2-hydroxycyclohexyl)-2-[3-(4-phenylphenyl)propyl]butanediamide?
The canonical SMILES for N'-hydroxy-N-(2-hydroxycyclohexyl)-2-[3-(4-phenylphenyl)propyl]butanediamide is O=C(CC(CCCc1ccc(-c2ccccc2)cc1)C(=O)NC1CCCCC1O)NO.
What is the InChIKey of N'-hydroxy-N-(2-hydroxycyclohexyl)-2-[3-(4-phenylphenyl)propyl]butanediamide?
The InChIKey is OXXOFRIJYPJYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c28-23-12-5-4-11-22(23)26-25(30)21(17-24(29)27-31)10-6-7-18-13-15-20(16-14-18)19-8-2-1-3-9-19/h1-3,8-9,13-16,21-23,28,31H,4-7,10-12,17H2,(H,26,30)(H,27,29).
What are the key properties of N'-hydroxy-N-(2-hydroxycyclohexyl)-2-[3-(4-phenylphenyl)propyl]butanediamide?
N'-hydroxy-N-(2-hydroxycyclohexyl)-2-[3-(4-phenylphenyl)propyl]butanediamide has a molecular weight of 424.54 g/mol, XLogP of 3.61, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(2-hydroxycyclohexyl)-2-[3-(4-phenylphenyl)propyl]butanediamide is sourced from PubChem (CID 54175331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).