N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylbut-3-enamide

C15H28N2O5 — CID 156794769

IUPACN-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylbut-3-enamide
SMILESC=CC(C)C(=O)NCCOCCOCCNC(=O)COCC
InChIInChI=1S/C15H28N2O5/c1-4-13(3)15(19)17-7-9-22-11-10-21-8-6-16-14(18)12-20-5-2/h4,13H,1,5-12H2,2-3H3,(H,16,18)(H,17,19)
InChIKeyRTSUCEUOGFBXBN-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.11
Rot. Bonds14

About N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylbut-3-enamide

N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylbut-3-enamide (PubChem CID 156794769) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylbut-3-enamide.

Molecular Properties

Compound NameN-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylbut-3-enamide
PubChem CID156794769
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC NameN-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylbut-3-enamide
SMILESC=CC(C)C(=O)NCCOCCOCCNC(=O)COCC
InChIInChI=1S/C15H28N2O5/c1-4-13(3)15(19)17-7-9-22-11-10-21-8-6-16-14(18)12-20-5-2/h4,13H,1,5-12H2,2-3H3,(H,16,18)(H,17,19)
InChIKeyRTSUCEUOGFBXBN-UHFFFAOYSA-N
XLogP0.11
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylbut-3-enamide?
The IUPAC name of N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylbut-3-enamide (CID 156794769) is N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylbut-3-enamide.
What is the SMILES notation for N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylbut-3-enamide?
The canonical SMILES for N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylbut-3-enamide is C=CC(C)C(=O)NCCOCCOCCNC(=O)COCC.
What is the InChIKey of N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylbut-3-enamide?
The InChIKey is RTSUCEUOGFBXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-4-13(3)15(19)17-7-9-22-11-10-21-8-6-16-14(18)12-20-5-2/h4,13H,1,5-12H2,2-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylbut-3-enamide?
N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylbut-3-enamide has a molecular weight of 316.40 g/mol, XLogP of 0.11, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylbut-3-enamide is sourced from PubChem (CID 156794769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).