3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate

C32H31NO2 — CID 58571420

IUPAC3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C32H31NO2/c1-4-32(34)35-22-8-9-26-13-18-29(19-14-26)33(31-17-12-24(2)25(3)23-31)30-20-15-28(16-21-30)27-10-6-5-7-11-27/h4-7,10-21,23H,1,8-9,22H2,2-3H3
InChIKeyXQEATQJGGPJOLB-UHFFFAOYSA-N
MW461.61 g/mol
LogP8.10
Rot. Bonds9

About 3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate

3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate (PubChem CID 58571420) has the molecular formula C32H31NO2 and a molecular weight of 461.61 g/mol. Its IUPAC name is 3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate
PubChem CID58571420
Molecular FormulaC32H31NO2
Molecular Weight461.61 g/mol
Exact Mass461.24
IUPAC Name3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C32H31NO2/c1-4-32(34)35-22-8-9-26-13-18-29(19-14-26)33(31-17-12-24(2)25(3)23-31)30-20-15-28(16-21-30)27-10-6-5-7-11-27/h4-7,10-21,23H,1,8-9,22H2,2-3H3
InChIKeyXQEATQJGGPJOLB-UHFFFAOYSA-N
XLogP8.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]ethyl prop-2-enoate
CID 170007474
3-[4-[4-(3-buta-1,3-dien-2-yloxypropyl)-N-(4-phenylphenyl)anilino]phenyl]propyl prop-2-enoate
CID 170284469
3-[3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl]-5-(3-prop-2-enoyloxypropyl)phenyl]propyl prop-2-enoate
CID 58876614
2-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethyl]phenyl]ethyl prop-2-enoate
CID 59399913
2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethyl prop-2-enoate;2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]ethyl prop-2-enoate;3-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]propyl prop-2-enoate;2-[4-[N-(3,4-dimethylphenyl)-4-(2-prop-2-enoyloxyethyl)anilino]phenyl]ethyl prop-2-enoate;2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethyl prop-2-enoate;3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propyl prop-2-enoate;[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl] prop-2-enoate;[4-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl] prop-2-enoate
CID 158760784
3-[4-[N-naphthalen-2-yl-4-(3-prop-2-enoyloxypropyl)anilino]phenyl]propyl prop-2-enoate
CID 170682277
3-[4-[N-[4-methyl-3-[4-(4-phenylphenyl)phenyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenoxy]propyl prop-2-enoate
CID 135253996
3-[4-[N-(3,4-dimethylphenyl)-4-[3-[(E)-pent-2-enoyl]oxypropyl]anilino]phenyl]propyl (E)-pent-2-enoate
CID 90168252
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
2-[4-[N-(3,4-dimethylphenyl)-4-(2-prop-2-enoyloxyethyl)anilino]phenyl]ethyl 2-methylprop-2-enoate
CID 139538030
3-[4-[N-(3,4-dimethylphenyl)-4-[3-(4,4,4-trifluorobut-2-enoyloxy)propyl]anilino]phenyl]propyl 4,4,4-trifluorobut-2-enoate
CID 123450384
N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline
CID 89419387

Frequently Asked Questions

What is the IUPAC name of 3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate?
The IUPAC name of 3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate (CID 58571420) is 3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate?
The canonical SMILES for 3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate is C=CC(=O)OCCCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate?
The InChIKey is XQEATQJGGPJOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31NO2/c1-4-32(34)35-22-8-9-26-13-18-29(19-14-26)33(31-17-12-24(2)25(3)23-31)30-20-15-28(16-21-30)27-10-6-5-7-11-27/h4-7,10-21,23H,1,8-9,22H2,2-3H3.
What are the key properties of 3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate?
3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate has a molecular weight of 461.61 g/mol, XLogP of 8.10, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate is sourced from PubChem (CID 58571420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).