N'-hydroxy-N-(4-methylphenyl)octanediamide

C15H22N2O3 — CID 45141751

IUPACN'-hydroxy-N-(4-methylphenyl)octanediamide
SMILESCc1ccc(NC(=O)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C15H22N2O3/c1-12-8-10-13(11-9-12)16-14(18)6-4-2-3-5-7-15(19)17-20/h8-11,20H,2-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyWFNAWUGSMGCUGF-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.78
Rot. Bonds8

About N'-hydroxy-N-(4-methylphenyl)octanediamide

N'-hydroxy-N-(4-methylphenyl)octanediamide (PubChem CID 45141751) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N'-hydroxy-N-(4-methylphenyl)octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(4-methylphenyl)octanediamide
PubChem CID45141751
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN'-hydroxy-N-(4-methylphenyl)octanediamide
SMILESCc1ccc(NC(=O)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C15H22N2O3/c1-12-8-10-13(11-9-12)16-14(18)6-4-2-3-5-7-15(19)17-20/h8-11,20H,2-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyWFNAWUGSMGCUGF-UHFFFAOYSA-N
XLogP2.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.78
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-(4-methylphenyl)octanediamide?
The IUPAC name of N'-hydroxy-N-(4-methylphenyl)octanediamide (CID 45141751) is N'-hydroxy-N-(4-methylphenyl)octanediamide.
What is the SMILES notation for N'-hydroxy-N-(4-methylphenyl)octanediamide?
The canonical SMILES for N'-hydroxy-N-(4-methylphenyl)octanediamide is Cc1ccc(NC(=O)CCCCCCC(=O)NO)cc1.
What is the InChIKey of N'-hydroxy-N-(4-methylphenyl)octanediamide?
The InChIKey is WFNAWUGSMGCUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12-8-10-13(11-9-12)16-14(18)6-4-2-3-5-7-15(19)17-20/h8-11,20H,2-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-hydroxy-N-(4-methylphenyl)octanediamide?
N'-hydroxy-N-(4-methylphenyl)octanediamide has a molecular weight of 278.35 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(4-methylphenyl)octanediamide is sourced from PubChem (CID 45141751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).