[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate

C30H25NO4 — CID 59745963

IUPAC[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate
SMILESC=CC(=O)Oc1ccc(N(c2ccc(OC(=O)CC)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C30H25NO4/c1-3-29(32)34-27-18-14-25(15-19-27)31(26-16-20-28(21-17-26)35-30(33)4-2)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h3,5-21H,1,4H2,2H3
InChIKeyBJYWBGAGOCEAJN-UHFFFAOYSA-N
MW463.53 g/mol
LogP7.23
Rot. Bonds8

About [4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate

[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate (PubChem CID 59745963) has the molecular formula C30H25NO4 and a molecular weight of 463.53 g/mol. Its IUPAC name is [4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate.

Molecular Properties

Compound Name[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate
PubChem CID59745963
Molecular FormulaC30H25NO4
Molecular Weight463.53 g/mol
Exact Mass463.18
IUPAC Name[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate
SMILESC=CC(=O)Oc1ccc(N(c2ccc(OC(=O)CC)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C30H25NO4/c1-3-29(32)34-27-18-14-25(15-19-27)31(26-16-20-28(21-17-26)35-30(33)4-2)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h3,5-21H,1,4H2,2H3
InChIKeyBJYWBGAGOCEAJN-UHFFFAOYSA-N
XLogP7.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 58800639
[4-[4-[N-[3,5-bis(N-phenylanilino)phenyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520163
[4-[4-[N-[[4-(N-phenylanilino)phenyl]methyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520157
[4-[N-[4-(1-hydroxypropoxy)phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl] prop-2-enoate
CID 58090228
[4-[4-(N-(3-methylphenyl)-4-prop-2-enoyloxyanilino)phenyl]phenyl] prop-2-enoate
CID 59832794
2-[4-[N-(4-prop-2-enoyloxyphenyl)-4-[4-(N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]anilino]phenyl]ethyl prop-2-enoate
CID 22089877
[4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate
CID 89016777
[4-[4-[N-methyl-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 22089909
[4-(N-propylanilino)phenyl] prop-2-enoate
CID 145430713
[4-[4-[N-[3,5-bis(dithiophen-2-ylamino)phenyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520108
[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl] 2-methylprop-2-enoate;[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl] prop-2-enoate;[3-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 157164623

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate?
The IUPAC name of [4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate (CID 59745963) is [4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate.
What is the SMILES notation for [4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate?
The canonical SMILES for [4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate is C=CC(=O)Oc1ccc(N(c2ccc(OC(=O)CC)cc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate?
The InChIKey is BJYWBGAGOCEAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO4/c1-3-29(32)34-27-18-14-25(15-19-27)31(26-16-20-28(21-17-26)35-30(33)4-2)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h3,5-21H,1,4H2,2H3.
What are the key properties of [4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate?
[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate has a molecular weight of 463.53 g/mol, XLogP of 7.23, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate is sourced from PubChem (CID 59745963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).