ethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate

C19H19NO3 — CID 780892

IUPACethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(/N=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19NO3/c1-3-23-19(21)13-8-15-4-9-17(10-5-15)20-14-16-6-11-18(22-2)12-7-16/h4-14H,3H2,1-2H3/b13-8+,20-14+
InChIKeyFMNNRRPDXZWUAE-PMMWVYMGSA-N
MW309.37 g/mol
LogP4.02
Rot. Bonds6

About ethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate

ethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate (PubChem CID 780892) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate
PubChem CID780892
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nameethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(/N=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19NO3/c1-3-23-19(21)13-8-15-4-9-17(10-5-15)20-14-16-6-11-18(22-2)12-7-16/h4-14H,3H2,1-2H3/b13-8+,20-14+
InChIKeyFMNNRRPDXZWUAE-PMMWVYMGSA-N
XLogP4.02
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate (CID 780892) is ethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(/N=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of ethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate?
The InChIKey is FMNNRRPDXZWUAE-PMMWVYMGSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-23-19(21)13-8-15-4-9-17(10-5-15)20-14-16-6-11-18(22-2)12-7-16/h4-14H,3H2,1-2H3/b13-8+,20-14+.
What are the key properties of ethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate?
ethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate has a molecular weight of 309.37 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate is sourced from PubChem (CID 780892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).