(E)-3-(4-methoxyphenyl)-N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide

C22H24N2O4 — CID 2180793

IUPAC(E)-3-(4-methoxyphenyl)-N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCNC(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H24N2O4/c1-27-19-9-3-17(4-10-19)7-13-21(25)23-15-16-24-22(26)14-8-18-5-11-20(28-2)12-6-18/h3-14H,15-16H2,1-2H3,(H,23,25)(H,24,26)/b13-7+,14-8+
InChIKeyHYHPRHFDLOFIOR-FNCQTZNRSA-N
MW380.44 g/mol
LogP2.66
Rot. Bonds9

About (E)-3-(4-methoxyphenyl)-N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide (PubChem CID 2180793) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
PubChem CID2180793
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(E)-3-(4-methoxyphenyl)-N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCNC(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H24N2O4/c1-27-19-9-3-17(4-10-19)7-13-21(25)23-15-16-24-22(26)14-8-18-5-11-20(28-2)12-6-18/h3-14H,15-16H2,1-2H3,(H,23,25)(H,24,26)/b13-7+,14-8+
InChIKeyHYHPRHFDLOFIOR-FNCQTZNRSA-N
XLogP2.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(4-methoxyphenyl)-N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide 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 (E)-3-(4-methoxyphenyl)-N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide (CID 2180793) is (E)-3-(4-methoxyphenyl)-N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCCNC(=O)/C=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide?
The InChIKey is HYHPRHFDLOFIOR-FNCQTZNRSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-27-19-9-3-17(4-10-19)7-13-21(25)23-15-16-24-22(26)14-8-18-5-11-20(28-2)12-6-18/h3-14H,15-16H2,1-2H3,(H,23,25)(H,24,26)/b13-7+,14-8+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide has a molecular weight of 380.44 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 2180793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).