(4-acetamidophenyl) 3-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]propanoate

C25H33NO7 — CID 137492102

IUPAC(4-acetamidophenyl) 3-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCC(=O)Nc1ccc(OC(=O)CCOCCOCCOCCOCc2ccc(C)cc2)cc1
InChIInChI=1S/C25H33NO7/c1-20-3-5-22(6-4-20)19-32-18-17-31-16-15-30-14-13-29-12-11-25(28)33-24-9-7-23(8-10-24)26-21(2)27/h3-10H,11-19H2,1-2H3,(H,26,27)
InChIKeyDIDJGBQRBXPUAY-UHFFFAOYSA-N
MW459.54 g/mol
LogP3.52
Rot. Bonds16

About (4-acetamidophenyl) 3-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]propanoate

(4-acetamidophenyl) 3-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 137492102) has the molecular formula C25H33NO7 and a molecular weight of 459.54 g/mol. Its IUPAC name is (4-acetamidophenyl) 3-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Name(4-acetamidophenyl) 3-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]propanoate
PubChem CID137492102
Molecular FormulaC25H33NO7
Molecular Weight459.54 g/mol
Exact Mass459.23
IUPAC Name(4-acetamidophenyl) 3-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCC(=O)Nc1ccc(OC(=O)CCOCCOCCOCCOCc2ccc(C)cc2)cc1
InChIInChI=1S/C25H33NO7/c1-20-3-5-22(6-4-20)19-32-18-17-31-16-15-30-14-13-29-12-11-25(28)33-24-9-7-23(8-10-24)26-21(2)27/h3-10H,11-19H2,1-2H3,(H,26,27)
InChIKeyDIDJGBQRBXPUAY-UHFFFAOYSA-N
XLogP3.52
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-acetamidophenyl) 3-phenylmethoxypropanoate
CID 60546332
bis(4-acetamidophenyl) propanedioate
CID 58435595
methyl 3-[[4-[(3-methoxy-3-oxopropoxy)methyl]phenyl]methoxy]propanoate
CID 142715469
N-[4-[2-(4-methylphenyl)ethoxy]phenyl]acetamide
CID 13017655
(4-acetamidophenyl) 3-(4-chlorophenyl)propanoate
CID 51277629
bis(4-methylphenyl) butanedioate
CID 14740597
(4-acetamidophenyl) 2-(4-bromophenyl)acetate
CID 26188194
(4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate
CID 110670540
[4-[(4-methylphenyl)carbamothioyloxymethyl]phenyl] acetate
CID 154605991
N-(4-methylphenyl)acetamide
CID 7684
[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate
CID 19221101
(4-acetamidophenyl) 2-(4-chlorophenyl)acetate
CID 4938737

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 3-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]propanoate?
The IUPAC name of (4-acetamidophenyl) 3-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 137492102) is (4-acetamidophenyl) 3-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]propanoate.
What is the SMILES notation for (4-acetamidophenyl) 3-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]propanoate?
The canonical SMILES for (4-acetamidophenyl) 3-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]propanoate is CC(=O)Nc1ccc(OC(=O)CCOCCOCCOCCOCc2ccc(C)cc2)cc1.
What is the InChIKey of (4-acetamidophenyl) 3-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]propanoate?
The InChIKey is DIDJGBQRBXPUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO7/c1-20-3-5-22(6-4-20)19-32-18-17-31-16-15-30-14-13-29-12-11-25(28)33-24-9-7-23(8-10-24)26-21(2)27/h3-10H,11-19H2,1-2H3,(H,26,27).
What are the key properties of (4-acetamidophenyl) 3-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]propanoate?
(4-acetamidophenyl) 3-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 459.54 g/mol, XLogP of 3.52, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 3-[2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 137492102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).