4-(3-methoxypropoxy)-N-[4-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]ethyl]phenyl]peroxyaniline

C34H39NO6 — CID 144875519

IUPAC4-(3-methoxypropoxy)-N-[4-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]ethyl]phenyl]peroxyaniline
SMILESCOCCCOc1ccc(NOOc2ccc(CCc3ccc(-c4ccc(OCCCOC)cc4)cc3)cc2)cc1
InChIInChI=1S/C34H39NO6/c1-36-23-3-25-38-32-19-13-30(14-20-32)29-11-7-27(8-12-29)5-6-28-9-17-34(18-10-28)40-41-35-31-15-21-33(22-16-31)39-26-4-24-37-2/h7-22,35H,3-6,23-26H2,1-2H3
InChIKeyHRZZWOOBDJPURG-UHFFFAOYSA-N
MW557.69 g/mol
LogP7.31
Rot. Bonds18

About 4-(3-methoxypropoxy)-N-[4-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]ethyl]phenyl]peroxyaniline

4-(3-methoxypropoxy)-N-[4-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]ethyl]phenyl]peroxyaniline (PubChem CID 144875519) has the molecular formula C34H39NO6 and a molecular weight of 557.69 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)-N-[4-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]ethyl]phenyl]peroxyaniline.

Molecular Properties

Compound Name4-(3-methoxypropoxy)-N-[4-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]ethyl]phenyl]peroxyaniline
PubChem CID144875519
Molecular FormulaC34H39NO6
Molecular Weight557.69 g/mol
Exact Mass557.28
IUPAC Name4-(3-methoxypropoxy)-N-[4-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]ethyl]phenyl]peroxyaniline
SMILESCOCCCOc1ccc(NOOc2ccc(CCc3ccc(-c4ccc(OCCCOC)cc4)cc3)cc2)cc1
InChIInChI=1S/C34H39NO6/c1-36-23-3-25-38-32-19-13-30(14-20-32)29-11-7-27(8-12-29)5-6-28-9-17-34(18-10-28)40-41-35-31-15-21-33(22-16-31)39-26-4-24-37-2/h7-22,35H,3-6,23-26H2,1-2H3
InChIKeyHRZZWOOBDJPURG-UHFFFAOYSA-N
XLogP7.31
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.69
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 4-(3-methoxypropoxy)-N-[4-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]ethyl]phenyl]peroxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(chloromethyl)-4-(3-methoxypropoxy)benzene
CID 60925978
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
methyl 4-[[[4-[4-(3-methoxypropoxy)phenyl]benzoyl]amino]carbamoyl]benzoate
CID 20655642
[4-(2-methoxyethyl)phenyl] (E)-3-[4-[4-(3-methoxypropoxy)phenyl]phenyl]prop-2-enoate
CID 144983591
ethane;1-methoxy-4-(3-methoxypropoxy)benzene
CID 143283206
1-butoxy-4-[4-(4-fluorobutyl)phenyl]benzene
CID 19789101
(NE)-N-[4-[4-(3-methoxypropoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 54936027
1-(bromomethyl)-4-(4-methoxybutoxy)benzene
CID 102137908
1-butoxy-4-[4-(3-chloropropyl)phenyl]benzene
CID 19789115
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
1,3-bis(4-butoxyphenyl)-5-[4-[3-(2-methoxyethoxymethoxy)propyl]phenyl]benzene
CID 121286376
2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]-5-[4-(methylperoxymethyl)phenyl]-1,3,4-thiadiazole
CID 20655135

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxy)-N-[4-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]ethyl]phenyl]peroxyaniline?
The IUPAC name of 4-(3-methoxypropoxy)-N-[4-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]ethyl]phenyl]peroxyaniline (CID 144875519) is 4-(3-methoxypropoxy)-N-[4-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]ethyl]phenyl]peroxyaniline.
What is the SMILES notation for 4-(3-methoxypropoxy)-N-[4-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]ethyl]phenyl]peroxyaniline?
The canonical SMILES for 4-(3-methoxypropoxy)-N-[4-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]ethyl]phenyl]peroxyaniline is COCCCOc1ccc(NOOc2ccc(CCc3ccc(-c4ccc(OCCCOC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-(3-methoxypropoxy)-N-[4-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]ethyl]phenyl]peroxyaniline?
The InChIKey is HRZZWOOBDJPURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39NO6/c1-36-23-3-25-38-32-19-13-30(14-20-32)29-11-7-27(8-12-29)5-6-28-9-17-34(18-10-28)40-41-35-31-15-21-33(22-16-31)39-26-4-24-37-2/h7-22,35H,3-6,23-26H2,1-2H3.
What are the key properties of 4-(3-methoxypropoxy)-N-[4-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]ethyl]phenyl]peroxyaniline?
4-(3-methoxypropoxy)-N-[4-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]ethyl]phenyl]peroxyaniline has a molecular weight of 557.69 g/mol, XLogP of 7.31, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropoxy)-N-[4-[2-[4-[4-(3-methoxypropoxy)phenyl]phenyl]ethyl]phenyl]peroxyaniline is sourced from PubChem (CID 144875519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).