(E)-N-methyl-4-[methyl(2-propoxyethyl)amino]but-2-enamide

C11H22N2O2 — CID 58434682

IUPAC(E)-N-methyl-4-[methyl(2-propoxyethyl)amino]but-2-enamide
SMILESCCCOCCN(C)C/C=C/C(=O)NC
InChIInChI=1S/C11H22N2O2/c1-4-9-15-10-8-13(3)7-5-6-11(14)12-2/h5-6H,4,7-10H2,1-3H3,(H,12,14)/b6-5+
InChIKeyWIERAWLNFBJPEV-AATRIKPKSA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds8

About (E)-N-methyl-4-[methyl(2-propoxyethyl)amino]but-2-enamide

(E)-N-methyl-4-[methyl(2-propoxyethyl)amino]but-2-enamide (PubChem CID 58434682) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (E)-N-methyl-4-[methyl(2-propoxyethyl)amino]but-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-4-[methyl(2-propoxyethyl)amino]but-2-enamide
PubChem CID58434682
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(E)-N-methyl-4-[methyl(2-propoxyethyl)amino]but-2-enamide
SMILESCCCOCCN(C)C/C=C/C(=O)NC
InChIInChI=1S/C11H22N2O2/c1-4-9-15-10-8-13(3)7-5-6-11(14)12-2/h5-6H,4,7-10H2,1-3H3,(H,12,14)/b6-5+
InChIKeyWIERAWLNFBJPEV-AATRIKPKSA-N
XLogP0.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-4-[methyl(2-propoxyethyl)amino]but-2-enamide?
The IUPAC name of (E)-N-methyl-4-[methyl(2-propoxyethyl)amino]but-2-enamide (CID 58434682) is (E)-N-methyl-4-[methyl(2-propoxyethyl)amino]but-2-enamide.
What is the SMILES notation for (E)-N-methyl-4-[methyl(2-propoxyethyl)amino]but-2-enamide?
The canonical SMILES for (E)-N-methyl-4-[methyl(2-propoxyethyl)amino]but-2-enamide is CCCOCCN(C)C/C=C/C(=O)NC.
What is the InChIKey of (E)-N-methyl-4-[methyl(2-propoxyethyl)amino]but-2-enamide?
The InChIKey is WIERAWLNFBJPEV-AATRIKPKSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-9-15-10-8-13(3)7-5-6-11(14)12-2/h5-6H,4,7-10H2,1-3H3,(H,12,14)/b6-5+.
What are the key properties of (E)-N-methyl-4-[methyl(2-propoxyethyl)amino]but-2-enamide?
(E)-N-methyl-4-[methyl(2-propoxyethyl)amino]but-2-enamide has a molecular weight of 214.31 g/mol, XLogP of 0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-4-[methyl(2-propoxyethyl)amino]but-2-enamide is sourced from PubChem (CID 58434682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).