2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide

C12H20N2O3 — CID 23396054

IUPAC2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCOCCNC(=O)C(=C)C
InChIInChI=1S/C12H20N2O3/c1-9(2)11(15)13-5-7-17-8-6-14-12(16)10(3)4/h1,3,5-8H2,2,4H3,(H,13,15)(H,14,16)
InChIKeyCSFBNVWMNAILMB-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.39
Rot. Bonds8

About 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide

2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide (PubChem CID 23396054) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide
PubChem CID23396054
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCOCCNC(=O)C(=C)C
InChIInChI=1S/C12H20N2O3/c1-9(2)11(15)13-5-7-17-8-6-14-12(16)10(3)4/h1,3,5-8H2,2,4H3,(H,13,15)(H,14,16)
InChIKeyCSFBNVWMNAILMB-UHFFFAOYSA-N
XLogP0.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
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 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide (CID 23396054) is 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide is C=C(C)C(=O)NCCOCCNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide?
The InChIKey is CSFBNVWMNAILMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9(2)11(15)13-5-7-17-8-6-14-12(16)10(3)4/h1,3,5-8H2,2,4H3,(H,13,15)(H,14,16).
What are the key properties of 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide?
2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide has a molecular weight of 240.30 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 23396054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).