(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-enamide

C24H28ClN3O5 — CID 24981201

IUPAC(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-enamide
SMILESCCOc1c(Cl)cc(/C=C/C(=O)N(CC)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C24H28ClN3O5/c1-5-28(15-22(30)27-19-10-8-18(9-11-19)26-16(3)29)23(31)12-7-17-13-20(25)24(33-6-2)21(14-17)32-4/h7-14H,5-6,15H2,1-4H3,(H,26,29)(H,27,30)/b12-7+
InChIKeyHEAXRVXQYZZJIW-KPKJPENVSA-N
MW473.96 g/mol
LogP4.21
Rot. Bonds10

About (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-enamide

(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-enamide (PubChem CID 24981201) has the molecular formula C24H28ClN3O5 and a molecular weight of 473.96 g/mol. Its IUPAC name is (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-enamide
PubChem CID24981201
Molecular FormulaC24H28ClN3O5
Molecular Weight473.96 g/mol
Exact Mass473.17
IUPAC Name(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-enamide
SMILESCCOc1c(Cl)cc(/C=C/C(=O)N(CC)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC
InChIInChI=1S/C24H28ClN3O5/c1-5-28(15-22(30)27-19-10-8-18(9-11-19)26-16(3)29)23(31)12-7-17-13-20(25)24(33-6-2)21(14-17)32-4/h7-14H,5-6,15H2,1-4H3,(H,26,29)(H,27,30)/b12-7+
InChIKeyHEAXRVXQYZZJIW-KPKJPENVSA-N
XLogP4.21
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-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)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-enamide?
The IUPAC name of (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-enamide (CID 24981201) is (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-enamide is CCOc1c(Cl)cc(/C=C/C(=O)N(CC)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC.
What is the InChIKey of (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-enamide?
The InChIKey is HEAXRVXQYZZJIW-KPKJPENVSA-N. The full InChI is InChI=1S/C24H28ClN3O5/c1-5-28(15-22(30)27-19-10-8-18(9-11-19)26-16(3)29)23(31)12-7-17-13-20(25)24(33-6-2)21(14-17)32-4/h7-14H,5-6,15H2,1-4H3,(H,26,29)(H,27,30)/b12-7+.
What are the key properties of (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-enamide?
(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-enamide has a molecular weight of 473.96 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 24981201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).