4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline

C38H55NO3 — CID 139670157

IUPAC4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
SMILESCCCCCCCCCCCCCCCCCCOc1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C38H55NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32-42-38-30-24-35(25-31-38)39(33-20-26-36(40-2)27-21-33)34-22-28-37(41-3)29-23-34/h20-31H,4-19,32H2,1-3H3
InChIKeyZGCHEZONSNKNJL-UHFFFAOYSA-N
MW573.86 g/mol
LogP11.81
Rot. Bonds23

About 4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline

4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline (PubChem CID 139670157) has the molecular formula C38H55NO3 and a molecular weight of 573.86 g/mol. Its IUPAC name is 4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
PubChem CID139670157
Molecular FormulaC38H55NO3
Molecular Weight573.86 g/mol
Exact Mass573.42
IUPAC Name4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
SMILESCCCCCCCCCCCCCCCCCCOc1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C38H55NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32-42-38-30-24-35(25-31-38)39(33-20-26-36(40-2)27-21-33)34-22-28-37(41-3)29-23-34/h20-31H,4-19,32H2,1-3H3
InChIKeyZGCHEZONSNKNJL-UHFFFAOYSA-N
XLogP11.81
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.86
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline 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-methoxy-4-tetradecoxybenzene
CID 91712423
N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
CID 18996772
4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline
CID 18996788
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline
CID 18996741
4-hexoxy-N,N-dimethylaniline
CID 19782341
4-hexoxy-N-(4-hexoxyphenyl)-N-phenylaniline;yttrium
CID 140583361
4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline
CID 139670251
1-decoxy-4-(4-methoxyphenyl)iodanuidylbenzene
CID 58226263
N-(4-hexoxyphenyl)-4-prop-1-ynyl-N-(4-prop-1-ynylphenyl)aniline
CID 118283118

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline?
The IUPAC name of 4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline (CID 139670157) is 4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline.
What is the SMILES notation for 4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline?
The canonical SMILES for 4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline is CCCCCCCCCCCCCCCCCCOc1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline?
The InChIKey is ZGCHEZONSNKNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H55NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32-42-38-30-24-35(25-31-38)39(33-20-26-36(40-2)27-21-33)34-22-28-37(41-3)29-23-34/h20-31H,4-19,32H2,1-3H3.
What are the key properties of 4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline?
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline has a molecular weight of 573.86 g/mol, XLogP of 11.81, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline is sourced from PubChem (CID 139670157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).