(2Z)-N-(2,2-dimethoxyethyl)-N-methyl-2-(methylamino)penta-2,4-dienamide

C11H20N2O3 — CID 171649978

IUPAC(2Z)-N-(2,2-dimethoxyethyl)-N-methyl-2-(methylamino)penta-2,4-dienamide
SMILESC=C/C=C(\NC)C(=O)N(C)CC(OC)OC
InChIInChI=1S/C11H20N2O3/c1-6-7-9(12-2)11(14)13(3)8-10(15-4)16-5/h6-7,10,12H,1,8H2,2-5H3/b9-7-
InChIKeyWVKXBTSURXZRGW-CLFYSBASSA-N
MW228.29 g/mol
LogP0.35
Rot. Bonds7

About (2Z)-N-(2,2-dimethoxyethyl)-N-methyl-2-(methylamino)penta-2,4-dienamide

(2Z)-N-(2,2-dimethoxyethyl)-N-methyl-2-(methylamino)penta-2,4-dienamide (PubChem CID 171649978) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2Z)-N-(2,2-dimethoxyethyl)-N-methyl-2-(methylamino)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-N-(2,2-dimethoxyethyl)-N-methyl-2-(methylamino)penta-2,4-dienamide
PubChem CID171649978
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2Z)-N-(2,2-dimethoxyethyl)-N-methyl-2-(methylamino)penta-2,4-dienamide
SMILESC=C/C=C(\NC)C(=O)N(C)CC(OC)OC
InChIInChI=1S/C11H20N2O3/c1-6-7-9(12-2)11(14)13(3)8-10(15-4)16-5/h6-7,10,12H,1,8H2,2-5H3/b9-7-
InChIKeyWVKXBTSURXZRGW-CLFYSBASSA-N
XLogP0.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(2,2-dimethoxyethyl)-N-methyl-2-(methylamino)penta-2,4-dienamide?
The IUPAC name of (2Z)-N-(2,2-dimethoxyethyl)-N-methyl-2-(methylamino)penta-2,4-dienamide (CID 171649978) is (2Z)-N-(2,2-dimethoxyethyl)-N-methyl-2-(methylamino)penta-2,4-dienamide.
What is the SMILES notation for (2Z)-N-(2,2-dimethoxyethyl)-N-methyl-2-(methylamino)penta-2,4-dienamide?
The canonical SMILES for (2Z)-N-(2,2-dimethoxyethyl)-N-methyl-2-(methylamino)penta-2,4-dienamide is C=C/C=C(\NC)C(=O)N(C)CC(OC)OC.
What is the InChIKey of (2Z)-N-(2,2-dimethoxyethyl)-N-methyl-2-(methylamino)penta-2,4-dienamide?
The InChIKey is WVKXBTSURXZRGW-CLFYSBASSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-6-7-9(12-2)11(14)13(3)8-10(15-4)16-5/h6-7,10,12H,1,8H2,2-5H3/b9-7-.
What are the key properties of (2Z)-N-(2,2-dimethoxyethyl)-N-methyl-2-(methylamino)penta-2,4-dienamide?
(2Z)-N-(2,2-dimethoxyethyl)-N-methyl-2-(methylamino)penta-2,4-dienamide has a molecular weight of 228.29 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(2,2-dimethoxyethyl)-N-methyl-2-(methylamino)penta-2,4-dienamide is sourced from PubChem (CID 171649978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).