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

C31H29NO3 — CID 59392192

IUPAC2-[[4-[4-(N-phenylanilino)phenyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H29NO3/c1-24(2)31(33)35-22-21-34-23-25-13-15-26(16-14-25)27-17-19-30(20-18-27)32(28-9-5-3-6-10-28)29-11-7-4-8-12-29/h3-20H,1,21-23H2,2H3
InChIKeyRBWCQRGEZBGWIK-UHFFFAOYSA-N
MW463.58 g/mol
LogP7.46
Rot. Bonds10

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

2-[[4-[4-(N-phenylanilino)phenyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate (PubChem CID 59392192) has the molecular formula C31H29NO3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-[[4-[4-(N-phenylanilino)phenyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[4-[4-(N-phenylanilino)phenyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate
PubChem CID59392192
Molecular FormulaC31H29NO3
Molecular Weight463.58 g/mol
Exact Mass463.21
IUPAC Name2-[[4-[4-(N-phenylanilino)phenyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H29NO3/c1-24(2)31(33)35-22-21-34-23-25-13-15-26(16-14-25)27-17-19-30(20-18-27)32(28-9-5-3-6-10-28)29-11-7-4-8-12-29/h3-20H,1,21-23H2,2H3
InChIKeyRBWCQRGEZBGWIK-UHFFFAOYSA-N
XLogP7.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 57.46
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-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate
CID 59392121
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-(4-phenylphenyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832811
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-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate
CID 90442636
[4-[4-(N-[4-[4-(acetyloxymethyl)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]methyl acetate
CID 14669999
2-[4-[1-(2-phenylmethoxyethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethyl 2-methylprop-2-enoate
CID 20607694
[4-[4-[N-[4-[4-[N-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl] 2-methylprop-2-enoate
CID 58520075
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-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
2-methylhexan-2-yl 2-[2-[[4-(N-[4-[4-[4-[4-[2-[2-(2-methylhexan-2-yloxycarbonyloxy)ethoxy]ethoxymethyl]-N-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methoxy]ethoxy]ethyl carbonate
CID 153444197
[4-(4-bromophenyl)phenyl]methyl 2-methylprop-2-enoate
CID 140797428

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(N-phenylanilino)phenyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[4-[4-(N-phenylanilino)phenyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate (CID 59392192) is 2-[[4-[4-(N-phenylanilino)phenyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[4-[4-(N-phenylanilino)phenyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[4-[4-(N-phenylanilino)phenyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[[4-[4-(N-phenylanilino)phenyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is RBWCQRGEZBGWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO3/c1-24(2)31(33)35-22-21-34-23-25-13-15-26(16-14-25)27-17-19-30(20-18-27)32(28-9-5-3-6-10-28)29-11-7-4-8-12-29/h3-20H,1,21-23H2,2H3.
What are the key properties of 2-[[4-[4-(N-phenylanilino)phenyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate?
2-[[4-[4-(N-phenylanilino)phenyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 463.58 g/mol, XLogP of 7.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(N-phenylanilino)phenyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 59392192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).