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

C16H28N2O5 — CID 42635997

IUPAC2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCOCCOCCOCCNC(=O)C(=C)C
InChIInChI=1S/C16H28N2O5/c1-13(2)15(19)17-5-7-21-9-11-23-12-10-22-8-6-18-16(20)14(3)4/h1,3,5-12H2,2,4H3,(H,17,19)(H,18,20)
InChIKeyOLWPJJACOBUQSP-UHFFFAOYSA-N
MW328.41 g/mol
LogP0.42
Rot. Bonds14

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

2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide (PubChem CID 42635997) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
PubChem CID42635997
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Name2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCOCCOCCOCCNC(=O)C(=C)C
InChIInChI=1S/C16H28N2O5/c1-13(2)15(19)17-5-7-21-9-11-23-12-10-22-8-6-18-16(20)14(3)4/h1,3,5-12H2,2,4H3,(H,17,19)(H,18,20)
InChIKeyOLWPJJACOBUQSP-UHFFFAOYSA-N
XLogP0.42
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide (CID 42635997) is 2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide is C=C(C)C(=O)NCCOCCOCCOCCNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide?
The InChIKey is OLWPJJACOBUQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-13(2)15(19)17-5-7-21-9-11-23-12-10-22-8-6-18-16(20)14(3)4/h1,3,5-12H2,2,4H3,(H,17,19)(H,18,20).
What are the key properties of 2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide?
2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide has a molecular weight of 328.41 g/mol, XLogP of 0.42, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide is sourced from PubChem (CID 42635997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).