(E)-N-[(2,4-dimethoxyphenyl)methoxy]-N-ethyl-3-(4-formylphenyl)prop-2-enamide

C21H23NO5 — CID 59687116

IUPAC(E)-N-[(2,4-dimethoxyphenyl)methoxy]-N-ethyl-3-(4-formylphenyl)prop-2-enamide
SMILESCCN(OCc1ccc(OC)cc1OC)C(=O)/C=C/c1ccc(C=O)cc1
InChIInChI=1S/C21H23NO5/c1-4-22(21(24)12-9-16-5-7-17(14-23)8-6-16)27-15-18-10-11-19(25-2)13-20(18)26-3/h5-14H,4,15H2,1-3H3/b12-9+
InChIKeyAHTAJSSICKPGPL-FMIVXFBMSA-N
MW369.42 g/mol
LogP3.51
Rot. Bonds9

About (E)-N-[(2,4-dimethoxyphenyl)methoxy]-N-ethyl-3-(4-formylphenyl)prop-2-enamide

(E)-N-[(2,4-dimethoxyphenyl)methoxy]-N-ethyl-3-(4-formylphenyl)prop-2-enamide (PubChem CID 59687116) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is (E)-N-[(2,4-dimethoxyphenyl)methoxy]-N-ethyl-3-(4-formylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2,4-dimethoxyphenyl)methoxy]-N-ethyl-3-(4-formylphenyl)prop-2-enamide
PubChem CID59687116
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name(E)-N-[(2,4-dimethoxyphenyl)methoxy]-N-ethyl-3-(4-formylphenyl)prop-2-enamide
SMILESCCN(OCc1ccc(OC)cc1OC)C(=O)/C=C/c1ccc(C=O)cc1
InChIInChI=1S/C21H23NO5/c1-4-22(21(24)12-9-16-5-7-17(14-23)8-6-16)27-15-18-10-11-19(25-2)13-20(18)26-3/h5-14H,4,15H2,1-3H3/b12-9+
InChIKeyAHTAJSSICKPGPL-FMIVXFBMSA-N
XLogP3.51
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 11844639
(E)-3-[4-(diethylamino)phenyl]-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 7594013
[2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate
CID 74061768
(E)-3-[4-(diethylamino)phenyl]-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 7947842
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
(E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide
CID 39001200
(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 71945324
3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
CID 3500968
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
(4-methoxyphenyl)methyl 3-(4-formylphenyl)prop-2-enoate
CID 86758303
(E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide
CID 890681
4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
CID 150176729

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2,4-dimethoxyphenyl)methoxy]-N-ethyl-3-(4-formylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(2,4-dimethoxyphenyl)methoxy]-N-ethyl-3-(4-formylphenyl)prop-2-enamide (CID 59687116) is (E)-N-[(2,4-dimethoxyphenyl)methoxy]-N-ethyl-3-(4-formylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2,4-dimethoxyphenyl)methoxy]-N-ethyl-3-(4-formylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2,4-dimethoxyphenyl)methoxy]-N-ethyl-3-(4-formylphenyl)prop-2-enamide is CCN(OCc1ccc(OC)cc1OC)C(=O)/C=C/c1ccc(C=O)cc1.
What is the InChIKey of (E)-N-[(2,4-dimethoxyphenyl)methoxy]-N-ethyl-3-(4-formylphenyl)prop-2-enamide?
The InChIKey is AHTAJSSICKPGPL-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H23NO5/c1-4-22(21(24)12-9-16-5-7-17(14-23)8-6-16)27-15-18-10-11-19(25-2)13-20(18)26-3/h5-14H,4,15H2,1-3H3/b12-9+.
What are the key properties of (E)-N-[(2,4-dimethoxyphenyl)methoxy]-N-ethyl-3-(4-formylphenyl)prop-2-enamide?
(E)-N-[(2,4-dimethoxyphenyl)methoxy]-N-ethyl-3-(4-formylphenyl)prop-2-enamide has a molecular weight of 369.42 g/mol, XLogP of 3.51, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2,4-dimethoxyphenyl)methoxy]-N-ethyl-3-(4-formylphenyl)prop-2-enamide is sourced from PubChem (CID 59687116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).