6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenoxy]-N-methylhexanamide

C28H33NO5 — CID 22886581

IUPAC6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenoxy]-N-methylhexanamide
SMILESCNC(=O)CCCCCOc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H33NO5/c1-29-27(30)7-5-4-6-20-34-26-18-12-23(13-19-26)28(31,21-8-14-24(32-2)15-9-21)22-10-16-25(33-3)17-11-22/h8-19,31H,4-7,20H2,1-3H3,(H,29,30)
InChIKeyWUDWHMLDMODLCF-UHFFFAOYSA-N
MW463.57 g/mol
LogP4.67
Rot. Bonds12

About 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenoxy]-N-methylhexanamide

6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenoxy]-N-methylhexanamide (PubChem CID 22886581) has the molecular formula C28H33NO5 and a molecular weight of 463.57 g/mol. Its IUPAC name is 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenoxy]-N-methylhexanamide.

Molecular Properties

Compound Name6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenoxy]-N-methylhexanamide
PubChem CID22886581
Molecular FormulaC28H33NO5
Molecular Weight463.57 g/mol
Exact Mass463.24
IUPAC Name6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenoxy]-N-methylhexanamide
SMILESCNC(=O)CCCCCOc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H33NO5/c1-29-27(30)7-5-4-6-20-34-26-18-12-23(13-19-26)28(31,21-8-14-24(32-2)15-9-21)22-10-16-25(33-3)17-11-22/h8-19,31H,4-7,20H2,1-3H3,(H,29,30)
InChIKeyWUDWHMLDMODLCF-UHFFFAOYSA-N
XLogP4.67
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-(4-methylphenoxy)pentanamide
CID 134582282
4-(2-carboxyethyl)-4-[6-(4-methoxyphenoxy)hexanoylamino]heptanedioic acid
CID 101425925
(2,5-dihydroxypyrrol-1-yl) 4-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenoxy]butanoate
CID 91419436
1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide
CID 3303798
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
(2,5-dioxopyrrolidin-1-yl) 4-[4-[[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]-hydroxy-(4-methoxyphenyl)methyl]phenoxy]butanoate
CID 23069524
trimethylsilyl 6-[4-[methoxy-bis(4-methoxyphenyl)methyl]phenoxy]hexanoate
CID 22886590
N-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide
CID 63892447
N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide
CID 119625857
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
5-(4-methoxyphenoxy)-N-methylpentan-1-amine
CID 62458714

Frequently Asked Questions

What is the IUPAC name of 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenoxy]-N-methylhexanamide?
The IUPAC name of 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenoxy]-N-methylhexanamide (CID 22886581) is 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenoxy]-N-methylhexanamide.
What is the SMILES notation for 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenoxy]-N-methylhexanamide?
The canonical SMILES for 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenoxy]-N-methylhexanamide is CNC(=O)CCCCCOc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenoxy]-N-methylhexanamide?
The InChIKey is WUDWHMLDMODLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO5/c1-29-27(30)7-5-4-6-20-34-26-18-12-23(13-19-26)28(31,21-8-14-24(32-2)15-9-21)22-10-16-25(33-3)17-11-22/h8-19,31H,4-7,20H2,1-3H3,(H,29,30).
What are the key properties of 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenoxy]-N-methylhexanamide?
6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenoxy]-N-methylhexanamide has a molecular weight of 463.57 g/mol, XLogP of 4.67, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]phenoxy]-N-methylhexanamide is sourced from PubChem (CID 22886581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).