(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide

C25H30N2O4 — CID 26903859

IUPAC(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)N(CCOC)CC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C25H30N2O4/c1-5-16-31-22-12-9-21(10-13-22)11-14-25(29)27(15-17-30-4)18-24(28)26-23-8-6-7-19(2)20(23)3/h5-14H,1,15-18H2,2-4H3,(H,26,28)/b14-11+
InChIKeyRNMIWAIIQFTIQW-SDNWHVSQSA-N
MW422.53 g/mol
LogP4.00
Rot. Bonds11

About (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide

(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide (PubChem CID 26903859) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
PubChem CID26903859
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)N(CCOC)CC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C25H30N2O4/c1-5-16-31-22-12-9-21(10-13-22)11-14-25(29)27(15-17-30-4)18-24(28)26-23-8-6-7-19(2)20(23)3/h5-14H,1,15-18H2,2-4H3,(H,26,28)/b14-11+
InChIKeyRNMIWAIIQFTIQW-SDNWHVSQSA-N
XLogP4.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide
CID 24683008
(E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 8714203
methyl 4-[(E)-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxoprop-1-enyl]benzoate
CID 8503568
methyl 4-[(E)-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-3-oxoprop-1-enyl]benzoate
CID 55331697
2-[acetyl(prop-2-enyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 84566729
N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 668253
[2-(2,6-dimethylanilino)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486250
N-cyclopropyl-4-[(E)-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-3-oxoprop-1-enyl]benzamide
CID 55566510
N-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide
CID 31884698
methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate
CID 55831904
3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 17445264
(E)-N-(2-ethyl-6-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 8761389

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide (CID 26903859) is (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide is C=CCOc1ccc(/C=C/C(=O)N(CCOC)CC(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The InChIKey is RNMIWAIIQFTIQW-SDNWHVSQSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-5-16-31-22-12-9-21(10-13-22)11-14-25(29)27(15-17-30-4)18-24(28)26-23-8-6-7-19(2)20(23)3/h5-14H,1,15-18H2,2-4H3,(H,26,28)/b14-11+.
What are the key properties of (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide has a molecular weight of 422.53 g/mol, XLogP of 4.00, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide is sourced from PubChem (CID 26903859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).