ethyl (Z)-2-(benzyliminomethylideneamino)-3-[5-(benzyliminomethylideneamino)-2-methylphenyl]prop-2-enoate

C28H26N4O2 — CID 10411477

IUPACethyl (Z)-2-(benzyliminomethylideneamino)-3-[5-(benzyliminomethylideneamino)-2-methylphenyl]prop-2-enoate
SMILESCCOC(=O)/C(=C/c1cc(N=C=NCc2ccccc2)ccc1C)N=C=NCc1ccccc1
InChIInChI=1S/C28H26N4O2/c1-3-34-28(33)27(32-21-30-19-24-12-8-5-9-13-24)17-25-16-26(15-14-22(25)2)31-20-29-18-23-10-6-4-7-11-23/h4-17H,3,18-19H2,1-2H3/b27-17-
InChIKeyDWOFRPYGVNBFQC-PKAZHMFMSA-N
MW450.54 g/mol
LogP6.28
Rot. Bonds9

About ethyl (Z)-2-(benzyliminomethylideneamino)-3-[5-(benzyliminomethylideneamino)-2-methylphenyl]prop-2-enoate

ethyl (Z)-2-(benzyliminomethylideneamino)-3-[5-(benzyliminomethylideneamino)-2-methylphenyl]prop-2-enoate (PubChem CID 10411477) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is ethyl (Z)-2-(benzyliminomethylideneamino)-3-[5-(benzyliminomethylideneamino)-2-methylphenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-(benzyliminomethylideneamino)-3-[5-(benzyliminomethylideneamino)-2-methylphenyl]prop-2-enoate
PubChem CID10411477
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Nameethyl (Z)-2-(benzyliminomethylideneamino)-3-[5-(benzyliminomethylideneamino)-2-methylphenyl]prop-2-enoate
SMILESCCOC(=O)/C(=C/c1cc(N=C=NCc2ccccc2)ccc1C)N=C=NCc1ccccc1
InChIInChI=1S/C28H26N4O2/c1-3-34-28(33)27(32-21-30-19-24-12-8-5-9-13-24)17-25-16-26(15-14-22(25)2)31-20-29-18-23-10-6-4-7-11-23/h4-17H,3,18-19H2,1-2H3/b27-17-
InChIKeyDWOFRPYGVNBFQC-PKAZHMFMSA-N
XLogP6.28
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (Z)-2-(benzyliminomethylideneamino)-3-[5-(benzyliminomethylideneamino)-2-methylphenyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-(benzyliminomethylideneamino)-3-[5-(benzyliminomethylideneamino)-2-methylphenyl]prop-2-enoate?
The IUPAC name of ethyl (Z)-2-(benzyliminomethylideneamino)-3-[5-(benzyliminomethylideneamino)-2-methylphenyl]prop-2-enoate (CID 10411477) is ethyl (Z)-2-(benzyliminomethylideneamino)-3-[5-(benzyliminomethylideneamino)-2-methylphenyl]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-(benzyliminomethylideneamino)-3-[5-(benzyliminomethylideneamino)-2-methylphenyl]prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-(benzyliminomethylideneamino)-3-[5-(benzyliminomethylideneamino)-2-methylphenyl]prop-2-enoate is CCOC(=O)/C(=C/c1cc(N=C=NCc2ccccc2)ccc1C)N=C=NCc1ccccc1.
What is the InChIKey of ethyl (Z)-2-(benzyliminomethylideneamino)-3-[5-(benzyliminomethylideneamino)-2-methylphenyl]prop-2-enoate?
The InChIKey is DWOFRPYGVNBFQC-PKAZHMFMSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-3-34-28(33)27(32-21-30-19-24-12-8-5-9-13-24)17-25-16-26(15-14-22(25)2)31-20-29-18-23-10-6-4-7-11-23/h4-17H,3,18-19H2,1-2H3/b27-17-.
What are the key properties of ethyl (Z)-2-(benzyliminomethylideneamino)-3-[5-(benzyliminomethylideneamino)-2-methylphenyl]prop-2-enoate?
ethyl (Z)-2-(benzyliminomethylideneamino)-3-[5-(benzyliminomethylideneamino)-2-methylphenyl]prop-2-enoate has a molecular weight of 450.54 g/mol, XLogP of 6.28, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-(benzyliminomethylideneamino)-3-[5-(benzyliminomethylideneamino)-2-methylphenyl]prop-2-enoate is sourced from PubChem (CID 10411477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).