2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate

C25H25NO3 — CID 59392121

IUPAC2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25NO3/c1-20(2)25(27)29-18-17-28-19-21-13-15-24(16-14-21)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16H,1,17-19H2,2H3
InChIKeyCPYGVQKFTIXVNR-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.79
Rot. Bonds9

About 2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate

2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate (PubChem CID 59392121) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate
PubChem CID59392121
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25NO3/c1-20(2)25(27)29-18-17-28-19-21-13-15-24(16-14-21)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16H,1,17-19H2,2H3
InChIKeyCPYGVQKFTIXVNR-UHFFFAOYSA-N
XLogP5.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[4-(N-phenylanilino)phenyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate
CID 59392192
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-(4-phenylphenyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832811
2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate
CID 90442636
2-hydroxyethyl 2-methylprop-2-enoate;phenylmethoxymethylbenzene
CID 70268341
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-naphthalen-2-ylanilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832690
2-[[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-[4-[N-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]phenyl]-4-(2-prop-2-enoyloxyethoxymethyl)anilino]phenyl]anilino]phenyl]methoxy]ethyl 2-methylprop-2-enoate
CID 59392153
2-[4-(diethylamino)phenyl]ethyl 2-methylprop-2-enoate
CID 150471657
benzyl 2-methylprop-2-enoate;butane
CID 174907722
[4-[N-(3,4-dimethylphenyl)-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 59392120
2-[4-[1-(2-phenylmethoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethyl 2-methylprop-2-enoate
CID 20607694
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate (CID 59392121) is 2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is CPYGVQKFTIXVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-20(2)25(27)29-18-17-28-19-21-13-15-24(16-14-21)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16H,1,17-19H2,2H3.
What are the key properties of 2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate?
2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 387.48 g/mol, XLogP of 5.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 59392121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).