2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate

C33H33NO2 — CID 166789153

IUPAC2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)c1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C33H33NO2/c1-23(2)33(35)36-22-26(5)27-10-12-28(13-11-27)29-14-20-32(21-15-29)34(30-16-6-24(3)7-17-30)31-18-8-25(4)9-19-31/h6-21,26H,1,22H2,2-5H3
InChIKeyWQSPLEDTCFMYTA-UHFFFAOYSA-N
MW475.63 g/mol
LogP8.66
Rot. Bonds8

About 2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate

2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate (PubChem CID 166789153) has the molecular formula C33H33NO2 and a molecular weight of 475.63 g/mol. Its IUPAC name is 2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate
PubChem CID166789153
Molecular FormulaC33H33NO2
Molecular Weight475.63 g/mol
Exact Mass475.25
IUPAC Name2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)c1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C33H33NO2/c1-23(2)33(35)36-22-26(5)27-10-12-28(13-11-27)29-14-20-32(21-15-29)34(30-16-6-24(3)7-17-30)31-18-8-25(4)9-19-31/h6-21,26H,1,22H2,2-5H3
InChIKeyWQSPLEDTCFMYTA-UHFFFAOYSA-N
XLogP8.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.63
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-hydroxy-2-(4-methylphenyl)ethyl] 2-methylprop-2-enoate
CID 70388302
[(2R)-2-(4-methylphenyl)propyl] acetate
CID 11008762
[4-[4-[4-(1-prop-2-enoyloxypropan-2-yl)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 155628427
[4-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]anilino]phenyl]phenyl] 2-methylpropanoate
CID 148930782
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-(4-phenylphenyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832811
1-[4-methyl-N-[1-(2-methylprop-2-enoyloxy)propyl]anilino]propyl 2-methylprop-2-enoate
CID 67046061
1-methyl-4-[(2S)-4-methylpent-4-en-2-yl]benzene
CID 122401758
[4-[N-[4-[4-methyl-2-[4-[4-(4-methylphenyl)-N-[4-(2-methylprop-2-enoyloxy)phenyl]anilino]phenyl]pentan-2-yl]phenyl]-4-(4-methylphenyl)anilino]phenyl] 2-methylprop-2-enoate
CID 58205425
2-(3,4,5-trihydroxyphenyl)propyl 2-methylprop-2-enoate
CID 172597336
2-[(4-methylphenyl)methoxy]propyl 2-methylprop-2-enoate
CID 59933632
[4-[4-(4-methyl-N-[4-[5-[4-(4-methyl-N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]anilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl] 2-methylprop-2-enoate
CID 58520185
[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenoxy]phenyl] 2-methylprop-2-enoate
CID 58800614

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate (CID 166789153) is 2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)c1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate?
The InChIKey is WQSPLEDTCFMYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33NO2/c1-23(2)33(35)36-22-26(5)27-10-12-28(13-11-27)29-14-20-32(21-15-29)34(30-16-6-24(3)7-17-30)31-18-8-25(4)9-19-31/h6-21,26H,1,22H2,2-5H3.
What are the key properties of 2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate?
2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate has a molecular weight of 475.63 g/mol, XLogP of 8.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 166789153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).