N'-hydroxy-N-(3-phenylphenyl)octanediamide

C20H24N2O3 — CID 44591267

IUPACN'-hydroxy-N-(3-phenylphenyl)octanediamide
SMILESO=C(CCCCCCC(=O)Nc1cccc(-c2ccccc2)c1)NO
InChIInChI=1S/C20H24N2O3/c23-19(13-6-1-2-7-14-20(24)22-25)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,25H,1-2,6-7,13-14H2,(H,21,23)(H,22,24)
InChIKeyRDYLEVRHTUDZCQ-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.14
Rot. Bonds9

About N'-hydroxy-N-(3-phenylphenyl)octanediamide

N'-hydroxy-N-(3-phenylphenyl)octanediamide (PubChem CID 44591267) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N'-hydroxy-N-(3-phenylphenyl)octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(3-phenylphenyl)octanediamide
PubChem CID44591267
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN'-hydroxy-N-(3-phenylphenyl)octanediamide
SMILESO=C(CCCCCCC(=O)Nc1cccc(-c2ccccc2)c1)NO
InChIInChI=1S/C20H24N2O3/c23-19(13-6-1-2-7-14-20(24)22-25)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,25H,1-2,6-7,13-14H2,(H,21,23)(H,22,24)
InChIKeyRDYLEVRHTUDZCQ-UHFFFAOYSA-N
XLogP4.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-phenylphenyl)octanediamide?
The IUPAC name of N'-hydroxy-N-(3-phenylphenyl)octanediamide (CID 44591267) is N'-hydroxy-N-(3-phenylphenyl)octanediamide.
What is the SMILES notation for N'-hydroxy-N-(3-phenylphenyl)octanediamide?
The canonical SMILES for N'-hydroxy-N-(3-phenylphenyl)octanediamide is O=C(CCCCCCC(=O)Nc1cccc(-c2ccccc2)c1)NO.
What is the InChIKey of N'-hydroxy-N-(3-phenylphenyl)octanediamide?
The InChIKey is RDYLEVRHTUDZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-19(13-6-1-2-7-14-20(24)22-25)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,25H,1-2,6-7,13-14H2,(H,21,23)(H,22,24).
What are the key properties of N'-hydroxy-N-(3-phenylphenyl)octanediamide?
N'-hydroxy-N-(3-phenylphenyl)octanediamide has a molecular weight of 340.42 g/mol, XLogP of 4.14, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(3-phenylphenyl)octanediamide is sourced from PubChem (CID 44591267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).