N'-hydroxy-N-(2-phenylethyl)octanediamide

C16H24N2O3 — CID 42598706

IUPACN'-hydroxy-N-(2-phenylethyl)octanediamide
SMILESO=C(CCCCCCC(=O)NCCc1ccccc1)NO
InChIInChI=1S/C16H24N2O3/c19-15(10-6-1-2-7-11-16(20)18-21)17-13-12-14-8-4-3-5-9-14/h3-5,8-9,21H,1-2,6-7,10-13H2,(H,17,19)(H,18,20)
InChIKeyCYDOMFOKDNLFNL-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.19
Rot. Bonds10

About N'-hydroxy-N-(2-phenylethyl)octanediamide

N'-hydroxy-N-(2-phenylethyl)octanediamide (PubChem CID 42598706) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-hydroxy-N-(2-phenylethyl)octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(2-phenylethyl)octanediamide
PubChem CID42598706
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN'-hydroxy-N-(2-phenylethyl)octanediamide
SMILESO=C(CCCCCCC(=O)NCCc1ccccc1)NO
InChIInChI=1S/C16H24N2O3/c19-15(10-6-1-2-7-11-16(20)18-21)17-13-12-14-8-4-3-5-9-14/h3-5,8-9,21H,1-2,6-7,10-13H2,(H,17,19)(H,18,20)
InChIKeyCYDOMFOKDNLFNL-UHFFFAOYSA-N
XLogP2.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.19
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-(2-phenylethyl)octanediamide?
The IUPAC name of N'-hydroxy-N-(2-phenylethyl)octanediamide (CID 42598706) is N'-hydroxy-N-(2-phenylethyl)octanediamide.
What is the SMILES notation for N'-hydroxy-N-(2-phenylethyl)octanediamide?
The canonical SMILES for N'-hydroxy-N-(2-phenylethyl)octanediamide is O=C(CCCCCCC(=O)NCCc1ccccc1)NO.
What is the InChIKey of N'-hydroxy-N-(2-phenylethyl)octanediamide?
The InChIKey is CYDOMFOKDNLFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-15(10-6-1-2-7-11-16(20)18-21)17-13-12-14-8-4-3-5-9-14/h3-5,8-9,21H,1-2,6-7,10-13H2,(H,17,19)(H,18,20).
What are the key properties of N'-hydroxy-N-(2-phenylethyl)octanediamide?
N'-hydroxy-N-(2-phenylethyl)octanediamide has a molecular weight of 292.38 g/mol, XLogP of 2.19, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(2-phenylethyl)octanediamide is sourced from PubChem (CID 42598706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).