N'-hydroxy-N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]octanediamide

C23H30N2O6 — CID 25066350

IUPACN'-hydroxy-N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]octanediamide
SMILESCOc1ccc(COC(CCCCCC(=O)NO)C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H30N2O6/c1-29-19-12-8-17(9-13-19)16-31-21(6-4-3-5-7-22(26)25-28)23(27)24-18-10-14-20(30-2)15-11-18/h8-15,21,28H,3-7,16H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyYZCGQTBVIGCNKG-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.68
Rot. Bonds13

About N'-hydroxy-N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]octanediamide

N'-hydroxy-N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]octanediamide (PubChem CID 25066350) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is N'-hydroxy-N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]octanediamide
PubChem CID25066350
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC NameN'-hydroxy-N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]octanediamide
SMILESCOc1ccc(COC(CCCCCC(=O)NO)C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H30N2O6/c1-29-19-12-8-17(9-13-19)16-31-21(6-4-3-5-7-22(26)25-28)23(27)24-18-10-14-20(30-2)15-11-18/h8-15,21,28H,3-7,16H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyYZCGQTBVIGCNKG-UHFFFAOYSA-N
XLogP3.68
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]octanediamide?
The IUPAC name of N'-hydroxy-N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]octanediamide (CID 25066350) is N'-hydroxy-N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]octanediamide.
What is the SMILES notation for N'-hydroxy-N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]octanediamide?
The canonical SMILES for N'-hydroxy-N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]octanediamide is COc1ccc(COC(CCCCCC(=O)NO)C(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N'-hydroxy-N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]octanediamide?
The InChIKey is YZCGQTBVIGCNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6/c1-29-19-12-8-17(9-13-19)16-31-21(6-4-3-5-7-22(26)25-28)23(27)24-18-10-14-20(30-2)15-11-18/h8-15,21,28H,3-7,16H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N'-hydroxy-N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]octanediamide?
N'-hydroxy-N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]octanediamide has a molecular weight of 430.50 g/mol, XLogP of 3.68, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methoxy]octanediamide is sourced from PubChem (CID 25066350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).