[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate

C32H27NO6 — CID 58876576

IUPAC[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cc(OC(=O)C=C)cc(-c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)c1
InChIInChI=1S/C32H27NO6/c1-5-31(34)38-29-19-23(20-30(21-29)39-32(35)6-2)22-7-9-24(10-8-22)33(25-11-15-27(36-3)16-12-25)26-13-17-28(37-4)18-14-26/h5-21H,1-2H2,3-4H3
InChIKeyNDTAGMDAKRIDGT-UHFFFAOYSA-N
MW521.57 g/mol
LogP7.02
Rot. Bonds10

About [3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate

[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate (PubChem CID 58876576) has the molecular formula C32H27NO6 and a molecular weight of 521.57 g/mol. Its IUPAC name is [3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate.

Molecular Properties

Compound Name[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate
PubChem CID58876576
Molecular FormulaC32H27NO6
Molecular Weight521.57 g/mol
Exact Mass521.18
IUPAC Name[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate
SMILESC=CC(=O)Oc1cc(OC(=O)C=C)cc(-c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)c1
InChIInChI=1S/C32H27NO6/c1-5-31(34)38-29-19-23(20-30(21-29)39-32(35)6-2)22-7-9-24(10-8-22)33(25-11-15-27(36-3)16-12-25)26-13-17-28(37-4)18-14-26/h5-21H,1-2H2,3-4H3
InChIKeyNDTAGMDAKRIDGT-UHFFFAOYSA-N
XLogP7.02
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.57
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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
[6-[[6-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-2-yl]-(6-prop-2-enoyloxynaphthalen-2-yl)amino]naphthalen-2-yl] prop-2-enoate
CID 58520192
[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-(3-methylphenyl)-4-prop-2-enoyloxyanilino)phenyl]phenyl] prop-2-enoate
CID 59832794
[4-[4-[N-methyl-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 22089909
[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl] propanoate
CID 59745963
[6-[4-(N-phenylanilino)-N-(6-prop-2-enoyloxynaphthalen-2-yl)anilino]naphthalen-2-yl] prop-2-enoate
CID 58520027
[4-(4-methyl-N-[4-[2-[4-[2-[4-(4-methyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl] prop-2-enoate
CID 58807715
[6-(3-ethyl-5-prop-2-enoyloxyphenyl)naphthalen-2-yl] prop-2-enoate
CID 67472291
[4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate
CID 59832803
[3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate
CID 163940283

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate?
The IUPAC name of [3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate (CID 58876576) is [3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate.
What is the SMILES notation for [3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate?
The canonical SMILES for [3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate is C=CC(=O)Oc1cc(OC(=O)C=C)cc(-c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)c1.
What is the InChIKey of [3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate?
The InChIKey is NDTAGMDAKRIDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27NO6/c1-5-31(34)38-29-19-23(20-30(21-29)39-32(35)6-2)22-7-9-24(10-8-22)33(25-11-15-27(36-3)16-12-25)26-13-17-28(37-4)18-14-26/h5-21H,1-2H2,3-4H3.
What are the key properties of [3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate?
[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate has a molecular weight of 521.57 g/mol, XLogP of 7.02, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate is sourced from PubChem (CID 58876576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).