N-hydroxy-2-[4-[[2-(4-octylphenoxy)acetyl]amino]phenyl]acetamide

C24H32N2O4 — CID 134519174

IUPACN-hydroxy-2-[4-[[2-(4-octylphenoxy)acetyl]amino]phenyl]acetamide
SMILESCCCCCCCCc1ccc(OCC(=O)Nc2ccc(CC(=O)NO)cc2)cc1
InChIInChI=1S/C24H32N2O4/c1-2-3-4-5-6-7-8-19-11-15-22(16-12-19)30-18-24(28)25-21-13-9-20(10-14-21)17-23(27)26-29/h9-16,29H,2-8,17-18H2,1H3,(H,25,28)(H,26,27)
InChIKeyUFLWPWLZXLOCFD-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.66
Rot. Bonds13

About N-hydroxy-2-[4-[[2-(4-octylphenoxy)acetyl]amino]phenyl]acetamide

N-hydroxy-2-[4-[[2-(4-octylphenoxy)acetyl]amino]phenyl]acetamide (PubChem CID 134519174) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-hydroxy-2-[4-[[2-(4-octylphenoxy)acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[[2-(4-octylphenoxy)acetyl]amino]phenyl]acetamide
PubChem CID134519174
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-hydroxy-2-[4-[[2-(4-octylphenoxy)acetyl]amino]phenyl]acetamide
SMILESCCCCCCCCc1ccc(OCC(=O)Nc2ccc(CC(=O)NO)cc2)cc1
InChIInChI=1S/C24H32N2O4/c1-2-3-4-5-6-7-8-19-11-15-22(16-12-19)30-18-24(28)25-21-13-9-20(10-14-21)17-23(27)26-29/h9-16,29H,2-8,17-18H2,1H3,(H,25,28)(H,26,27)
InChIKeyUFLWPWLZXLOCFD-UHFFFAOYSA-N
XLogP4.66
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.66
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-[[2-(4-octylphenoxy)acetyl]amino]phenyl]acetamide?
The IUPAC name of N-hydroxy-2-[4-[[2-(4-octylphenoxy)acetyl]amino]phenyl]acetamide (CID 134519174) is N-hydroxy-2-[4-[[2-(4-octylphenoxy)acetyl]amino]phenyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-[[2-(4-octylphenoxy)acetyl]amino]phenyl]acetamide?
The canonical SMILES for N-hydroxy-2-[4-[[2-(4-octylphenoxy)acetyl]amino]phenyl]acetamide is CCCCCCCCc1ccc(OCC(=O)Nc2ccc(CC(=O)NO)cc2)cc1.
What is the InChIKey of N-hydroxy-2-[4-[[2-(4-octylphenoxy)acetyl]amino]phenyl]acetamide?
The InChIKey is UFLWPWLZXLOCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-2-3-4-5-6-7-8-19-11-15-22(16-12-19)30-18-24(28)25-21-13-9-20(10-14-21)17-23(27)26-29/h9-16,29H,2-8,17-18H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-hydroxy-2-[4-[[2-(4-octylphenoxy)acetyl]amino]phenyl]acetamide?
N-hydroxy-2-[4-[[2-(4-octylphenoxy)acetyl]amino]phenyl]acetamide has a molecular weight of 412.53 g/mol, XLogP of 4.66, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[[2-(4-octylphenoxy)acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 134519174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).