(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide

C23H25N3O4 — CID 166198744

IUPAC(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(OCCn3ccnc3)cc2)cc1OC
InChIInChI=1S/C23H25N3O4/c1-3-29-21-10-4-18(16-22(21)28-2)5-11-23(27)25-19-6-8-20(9-7-19)30-15-14-26-13-12-24-17-26/h4-13,16-17H,3,14-15H2,1-2H3,(H,25,27)/b11-5+
InChIKeyXYQHRQSVKCARPJ-VZUCSPMQSA-N
MW407.47 g/mol
LogP4.02
Rot. Bonds10

About (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide

(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide (PubChem CID 166198744) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
PubChem CID166198744
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(OCCn3ccnc3)cc2)cc1OC
InChIInChI=1S/C23H25N3O4/c1-3-29-21-10-4-18(16-22(21)28-2)5-11-23(27)25-19-6-8-20(9-7-19)30-15-14-26-13-12-24-17-26/h4-13,16-17H,3,14-15H2,1-2H3,(H,25,27)/b11-5+
InChIKeyXYQHRQSVKCARPJ-VZUCSPMQSA-N
XLogP4.02
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.02
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-ethoxy-3-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953622
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2788614
(E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953593
N-[4-(diethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183385
(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 166192411
(E)-N-(4-aminophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 28854464
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide
CID 719545
N-[4-(dimethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183388
(E)-N-[4-(2-methoxyethoxy)phenyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 46461482
(E)-3-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide
CID 6310678
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
3-(4-ethoxy-3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 78791975

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide (CID 166198744) is (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2ccc(OCCn3ccnc3)cc2)cc1OC.
What is the InChIKey of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide?
The InChIKey is XYQHRQSVKCARPJ-VZUCSPMQSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-3-29-21-10-4-18(16-22(21)28-2)5-11-23(27)25-19-6-8-20(9-7-19)30-15-14-26-13-12-24-17-26/h4-13,16-17H,3,14-15H2,1-2H3,(H,25,27)/b11-5+.
What are the key properties of (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide?
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide has a molecular weight of 407.47 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 166198744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).