[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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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).