[2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl prop-2-enoate

C26H27NO2 — CID 155273416

IUPAC[2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccccc1N(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C26H27NO2/c1-6-26(28)29-17-22-9-7-8-10-25(22)27(23-13-11-18(2)20(4)15-23)24-14-12-19(3)21(5)16-24/h6-16H,1,17H2,2-5H3
InChIKeyXTYTULXKPBKJPR-UHFFFAOYSA-N
MW385.51 g/mol
LogP6.62
Rot. Bonds6

About [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl prop-2-enoate

[2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl prop-2-enoate (PubChem CID 155273416) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl prop-2-enoate
PubChem CID155273416
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name[2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccccc1N(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C26H27NO2/c1-6-26(28)29-17-22-9-7-8-10-25(22)27(23-13-11-18(2)20(4)15-23)24-14-12-19(3)21(5)16-24/h6-16H,1,17H2,2-5H3
InChIKeyXTYTULXKPBKJPR-UHFFFAOYSA-N
XLogP6.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.62
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-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
CID 155273417
2-[4-[4-(3,4-dimethyl-N-naphthalen-1-ylanilino)phenyl]-2-(2-prop-2-enoyloxyethyl)phenyl]ethyl prop-2-enoate
CID 58876588
2-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]ethyl prop-2-enoate
CID 170007474
[4-[N-(3,4-dimethylphenyl)-4-[10-[4-[N-(3,4-dimethylphenyl)-4-(prop-2-enoyloxymethyl)anilino]phenoxy]decoxy]anilino]phenyl]methyl prop-2-enoate
CID 58937618
3-[4-(N-(3,4-dimethylphenyl)-4-phenylanilino)phenyl]propyl prop-2-enoate
CID 58571420
2-[4-(N-(9,9-dimethylfluoren-2-yl)-3,4-dimethylanilino)phenyl]ethyl prop-2-enoate
CID 170007475
[2-(aminomethyl)phenyl]methyl prop-2-enoate
CID 174585354
[3-(N-(3,4-dimethylphenyl)-3-formyloxyanilino)phenyl] prop-2-enoate
CID 90291391
CID 169031580
CID 169031580
2-[4-[N-(3,4-dimethylphenyl)-4-(2-prop-2-enoyloxyethyl)anilino]phenyl]ethyl 2-methylprop-2-enoate
CID 139538030
(2-fluorophenyl)methyl prop-2-enoate
CID 66714923
[4-[N-(3-butyl-4-methylphenyl)-4-(prop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 89328506

Frequently Asked Questions

What is the IUPAC name of [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl prop-2-enoate?
The IUPAC name of [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl prop-2-enoate (CID 155273416) is [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl prop-2-enoate.
What is the SMILES notation for [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl prop-2-enoate?
The canonical SMILES for [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl prop-2-enoate is C=CC(=O)OCc1ccccc1N(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1.
What is the InChIKey of [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl prop-2-enoate?
The InChIKey is XTYTULXKPBKJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c1-6-26(28)29-17-22-9-7-8-10-25(22)27(23-13-11-18(2)20(4)15-23)24-14-12-19(3)21(5)16-24/h6-16H,1,17H2,2-5H3.
What are the key properties of [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl prop-2-enoate?
[2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl prop-2-enoate has a molecular weight of 385.51 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methyl prop-2-enoate is sourced from PubChem (CID 155273416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).