2-[1-(4-cyanophenyl)ethenoxy]-N-[2-(2-methoxyethylamino)-2-oxoethyl]prop-2-enamide

C17H19N3O4 — CID 143994905

IUPAC2-[1-(4-cyanophenyl)ethenoxy]-N-[2-(2-methoxyethylamino)-2-oxoethyl]prop-2-enamide
SMILESC=C(OC(=C)c1ccc(C#N)cc1)C(=O)NCC(=O)NCCOC
InChIInChI=1S/C17H19N3O4/c1-12(15-6-4-14(10-18)5-7-15)24-13(2)17(22)20-11-16(21)19-8-9-23-3/h4-7H,1-2,8-9,11H2,3H3,(H,19,21)(H,20,22)
InChIKeyFLVLXLAHIPDXRZ-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.94
Rot. Bonds9

About 2-[1-(4-cyanophenyl)ethenoxy]-N-[2-(2-methoxyethylamino)-2-oxoethyl]prop-2-enamide

2-[1-(4-cyanophenyl)ethenoxy]-N-[2-(2-methoxyethylamino)-2-oxoethyl]prop-2-enamide (PubChem CID 143994905) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[1-(4-cyanophenyl)ethenoxy]-N-[2-(2-methoxyethylamino)-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name2-[1-(4-cyanophenyl)ethenoxy]-N-[2-(2-methoxyethylamino)-2-oxoethyl]prop-2-enamide
PubChem CID143994905
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-[1-(4-cyanophenyl)ethenoxy]-N-[2-(2-methoxyethylamino)-2-oxoethyl]prop-2-enamide
SMILESC=C(OC(=C)c1ccc(C#N)cc1)C(=O)NCC(=O)NCCOC
InChIInChI=1S/C17H19N3O4/c1-12(15-6-4-14(10-18)5-7-15)24-13(2)17(22)20-11-16(21)19-8-9-23-3/h4-7H,1-2,8-9,11H2,3H3,(H,19,21)(H,20,22)
InChIKeyFLVLXLAHIPDXRZ-UHFFFAOYSA-N
XLogP0.94
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 62037442
4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045241
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738
3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115905492
4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 104625368
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide
CID 86816052
2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 60919147
2-[4-(3-amino-5-cyanophenyl)phenyl]-N-(2-methoxyethyl)acetamide
CID 171473702
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(4-cyanophenyl)acetamide
CID 103819854
2-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 115696998
2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115651742

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyanophenyl)ethenoxy]-N-[2-(2-methoxyethylamino)-2-oxoethyl]prop-2-enamide?
The IUPAC name of 2-[1-(4-cyanophenyl)ethenoxy]-N-[2-(2-methoxyethylamino)-2-oxoethyl]prop-2-enamide (CID 143994905) is 2-[1-(4-cyanophenyl)ethenoxy]-N-[2-(2-methoxyethylamino)-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for 2-[1-(4-cyanophenyl)ethenoxy]-N-[2-(2-methoxyethylamino)-2-oxoethyl]prop-2-enamide?
The canonical SMILES for 2-[1-(4-cyanophenyl)ethenoxy]-N-[2-(2-methoxyethylamino)-2-oxoethyl]prop-2-enamide is C=C(OC(=C)c1ccc(C#N)cc1)C(=O)NCC(=O)NCCOC.
What is the InChIKey of 2-[1-(4-cyanophenyl)ethenoxy]-N-[2-(2-methoxyethylamino)-2-oxoethyl]prop-2-enamide?
The InChIKey is FLVLXLAHIPDXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-12(15-6-4-14(10-18)5-7-15)24-13(2)17(22)20-11-16(21)19-8-9-23-3/h4-7H,1-2,8-9,11H2,3H3,(H,19,21)(H,20,22).
What are the key properties of 2-[1-(4-cyanophenyl)ethenoxy]-N-[2-(2-methoxyethylamino)-2-oxoethyl]prop-2-enamide?
2-[1-(4-cyanophenyl)ethenoxy]-N-[2-(2-methoxyethylamino)-2-oxoethyl]prop-2-enamide has a molecular weight of 329.36 g/mol, XLogP of 0.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyanophenyl)ethenoxy]-N-[2-(2-methoxyethylamino)-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 143994905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).