[4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate

C31H25NO3 — CID 59935411

IUPAC[4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(N(c2ccc(C=C)cc2)c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H25NO3/c1-3-23-10-16-27(17-11-23)32(28-18-12-24(13-19-28)22-35-30(33)4-2)29-20-14-26(15-21-29)31(34)25-8-6-5-7-9-25/h3-21H,1-2,22H2
InChIKeyUUYJZNAWTMJJAG-UHFFFAOYSA-N
MW459.55 g/mol
LogP7.26
Rot. Bonds9

About [4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate

[4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate (PubChem CID 59935411) has the molecular formula C31H25NO3 and a molecular weight of 459.55 g/mol. Its IUPAC name is [4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate
PubChem CID59935411
Molecular FormulaC31H25NO3
Molecular Weight459.55 g/mol
Exact Mass459.18
IUPAC Name[4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(N(c2ccc(C=C)cc2)c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H25NO3/c1-3-23-10-16-27(17-11-23)32(28-18-12-24(13-19-28)22-35-30(33)4-2)29-20-14-26(15-21-29)31(34)25-8-6-5-7-9-25/h3-21H,1-2,22H2
InChIKeyUUYJZNAWTMJJAG-UHFFFAOYSA-N
XLogP7.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate
CID 171722962
[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate
CID 135297284
[4-[4-(2-methylprop-2-enoyl)-N-(4-phenoxyphenyl)anilino]phenyl]methyl prop-2-enoate
CID 90291381
[4-[4-(prop-2-enoyloxymethyl)-N-[4-[[4-(prop-2-enoyloxymethyl)phenoxy]methoxy]phenyl]anilino]phenyl]methyl prop-2-enoate
CID 59716165
2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate
CID 89417418
[4-[4-(prop-2-enoyloxymethyl)-N-pyridin-2-ylanilino]phenyl]methyl prop-2-enoate
CID 59935337
[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride
CID 90823968
benzyl prop-2-enoate;but-2-enedioic acid
CID 70273802
[4-[N-[9,9-dimethyl-7-[4-(prop-2-enoyloxymethyl)-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(prop-2-enoyloxymethyl)anilino]phenyl]methyl prop-2-enoate
CID 58385641
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
CID 89417368
(4-ethenylphenyl)methyl 2-phenylacetate
CID 164760837
bis[(4-ethenylphenyl)methyl] benzene-1,3-dicarboxylate
CID 71422704

Frequently Asked Questions

What is the IUPAC name of [4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate?
The IUPAC name of [4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate (CID 59935411) is [4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate.
What is the SMILES notation for [4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate?
The canonical SMILES for [4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate is C=CC(=O)OCc1ccc(N(c2ccc(C=C)cc2)c2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate?
The InChIKey is UUYJZNAWTMJJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25NO3/c1-3-23-10-16-27(17-11-23)32(28-18-12-24(13-19-28)22-35-30(33)4-2)29-20-14-26(15-21-29)31(34)25-8-6-5-7-9-25/h3-21H,1-2,22H2.
What are the key properties of [4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate?
[4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate has a molecular weight of 459.55 g/mol, XLogP of 7.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-(4-benzoylphenyl)-4-ethenylanilino)phenyl]methyl prop-2-enoate is sourced from PubChem (CID 59935411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).