N'-hydroxy-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide

C22H28N2O4 — CID 25066136

IUPACN'-hydroxy-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide
SMILESCc1ccc(COC(CCCCCC(=O)NO)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H28N2O4/c1-17-12-14-18(15-13-17)16-28-20(10-6-3-7-11-21(25)24-27)22(26)23-19-8-4-2-5-9-19/h2,4-5,8-9,12-15,20,27H,3,6-7,10-11,16H2,1H3,(H,23,26)(H,24,25)
InChIKeyPSMNEVMIFKRSDY-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.97
Rot. Bonds11

About N'-hydroxy-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide

N'-hydroxy-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide (PubChem CID 25066136) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N'-hydroxy-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide
PubChem CID25066136
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN'-hydroxy-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide
SMILESCc1ccc(COC(CCCCCC(=O)NO)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H28N2O4/c1-17-12-14-18(15-13-17)16-28-20(10-6-3-7-11-21(25)24-27)22(26)23-19-8-4-2-5-9-19/h2,4-5,8-9,12-15,20,27H,3,6-7,10-11,16H2,1H3,(H,23,26)(H,24,25)
InChIKeyPSMNEVMIFKRSDY-UHFFFAOYSA-N
XLogP3.97
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide?
The IUPAC name of N'-hydroxy-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide (CID 25066136) is N'-hydroxy-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide.
What is the SMILES notation for N'-hydroxy-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide?
The canonical SMILES for N'-hydroxy-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide is Cc1ccc(COC(CCCCCC(=O)NO)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of N'-hydroxy-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide?
The InChIKey is PSMNEVMIFKRSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-17-12-14-18(15-13-17)16-28-20(10-6-3-7-11-21(25)24-27)22(26)23-19-8-4-2-5-9-19/h2,4-5,8-9,12-15,20,27H,3,6-7,10-11,16H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N'-hydroxy-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide?
N'-hydroxy-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide has a molecular weight of 384.48 g/mol, XLogP of 3.97, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(4-methylphenyl)methoxy]-N-phenyloctanediamide is sourced from PubChem (CID 25066136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).