(E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide

C20H21N3O3 — CID 46525062

IUPAC(E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-2-26-18-10-3-15(4-11-18)5-12-19(24)22-16-6-8-17(9-7-16)23-14-13-21-20(23)25/h3-12H,2,13-14H2,1H3,(H,21,25)(H,22,24)/b12-5+
InChIKeyGNVAECZWGXALMM-LFYBBSHMSA-N
MW351.41 g/mol
LogP3.27
Rot. Bonds6

About (E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide

(E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide (PubChem CID 46525062) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
PubChem CID46525062
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-2-26-18-10-3-15(4-11-18)5-12-19(24)22-16-6-8-17(9-7-16)23-14-13-21-20(23)25/h3-12H,2,13-14H2,1H3,(H,21,25)(H,22,24)/b12-5+
InChIKeyGNVAECZWGXALMM-LFYBBSHMSA-N
XLogP3.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]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

Related Compounds

(E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 38691544
(E)-3-(3-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
CID 46680617
ethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate
CID 141319024
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
(E)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 134048303
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131
methyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate
CID 70076895
(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
CID 46680665
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methylprop-2-enoxy)phenyl]prop-2-enamide
CID 17227148
3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide
CID 55778678
4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide
CID 17234449

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide (CID 46525062) is (E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide?
The InChIKey is GNVAECZWGXALMM-LFYBBSHMSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-26-18-10-3-15(4-11-18)5-12-19(24)22-16-6-8-17(9-7-16)23-14-13-21-20(23)25/h3-12H,2,13-14H2,1H3,(H,21,25)(H,22,24)/b12-5+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide?
(E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide has a molecular weight of 351.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 46525062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).