(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-ethoxyphenyl)prop-2-enamide

C24H27N3O4 — CID 18292461

IUPAC(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NC(c2cc(OC)cc(OC)c2)c2nccn2C)cc1
InChIInChI=1S/C24H27N3O4/c1-5-31-19-9-6-17(7-10-19)8-11-22(28)26-23(24-25-12-13-27(24)2)18-14-20(29-3)16-21(15-18)30-4/h6-16,23H,5H2,1-4H3,(H,26,28)/b11-8+
InChIKeyMUXACUQTJQTKGA-DHZHZOJOSA-N
MW421.50 g/mol
LogP3.76
Rot. Bonds9

About (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-ethoxyphenyl)prop-2-enamide

(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 18292461) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID18292461
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NC(c2cc(OC)cc(OC)c2)c2nccn2C)cc1
InChIInChI=1S/C24H27N3O4/c1-5-31-19-9-6-17(7-10-19)8-11-22(28)26-23(24-25-12-13-27(24)2)18-14-20(29-3)16-21(15-18)30-4/h6-16,23H,5H2,1-4H3,(H,26,28)/b11-8+
InChIKeyMUXACUQTJQTKGA-DHZHZOJOSA-N
XLogP3.76
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 24625709
(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide
CID 18283783
(E)-3-(3,5-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]prop-2-enamide
CID 24523288
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
CID 18284054
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 55454273
tert-butyl N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamate
CID 95318789
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylacetamide
CID 51273517
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 55718660
2-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18103829
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119838058
1-[(3,5-dimethoxyphenyl)methyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55910496
2-(4-cyano-2-ethoxyphenoxy)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 42924253

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-ethoxyphenyl)prop-2-enamide (CID 18292461) is (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)NC(c2cc(OC)cc(OC)c2)c2nccn2C)cc1.
What is the InChIKey of (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is MUXACUQTJQTKGA-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-5-31-19-9-6-17(7-10-19)8-11-22(28)26-23(24-25-12-13-27(24)2)18-14-20(29-3)16-21(15-18)30-4/h6-16,23H,5H2,1-4H3,(H,26,28)/b11-8+.
What are the key properties of (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-ethoxyphenyl)prop-2-enamide?
(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 421.50 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 18292461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).