(E)-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide

C17H24N2O4 — CID 763648

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCN2CCOCC2)cc1OC
InChIInChI=1S/C17H24N2O4/c1-21-15-5-3-14(13-16(15)22-2)4-6-17(20)18-7-8-19-9-11-23-12-10-19/h3-6,13H,7-12H2,1-2H3,(H,18,20)/b6-4+
InChIKeyDFJFBWHQNKPAEO-GQCTYLIASA-N
MW320.39 g/mol
LogP1.17
Rot. Bonds7

About (E)-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide (PubChem CID 763648) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
PubChem CID763648
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCN2CCOCC2)cc1OC
InChIInChI=1S/C17H24N2O4/c1-21-15-5-3-14(13-16(15)22-2)4-6-17(20)18-7-8-19-9-11-23-12-10-19/h3-6,13H,7-12H2,1-2H3,(H,18,20)/b6-4+
InChIKeyDFJFBWHQNKPAEO-GQCTYLIASA-N
XLogP1.17
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide (CID 763648) is (E)-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NCCN2CCOCC2)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The InChIKey is DFJFBWHQNKPAEO-GQCTYLIASA-N. The full InChI is InChI=1S/C17H24N2O4/c1-21-15-5-3-14(13-16(15)22-2)4-6-17(20)18-7-8-19-9-11-23-12-10-19/h3-6,13H,7-12H2,1-2H3,(H,18,20)/b6-4+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide has a molecular weight of 320.39 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide is sourced from PubChem (CID 763648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).