N-[3-[[2-(2-ethoxyethoxy)acetyl]amino]propyl]-2-methylprop-2-enamide

C13H24N2O4 — CID 122467378

IUPACN-[3-[[2-(2-ethoxyethoxy)acetyl]amino]propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCNC(=O)COCCOCC
InChIInChI=1S/C13H24N2O4/c1-4-18-8-9-19-10-12(16)14-6-5-7-15-13(17)11(2)3/h2,4-10H2,1,3H3,(H,14,16)(H,15,17)
InChIKeyCWACRUQOCUVDJW-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.24
Rot. Bonds11

About N-[3-[[2-(2-ethoxyethoxy)acetyl]amino]propyl]-2-methylprop-2-enamide

N-[3-[[2-(2-ethoxyethoxy)acetyl]amino]propyl]-2-methylprop-2-enamide (PubChem CID 122467378) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is N-[3-[[2-(2-ethoxyethoxy)acetyl]amino]propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[[2-(2-ethoxyethoxy)acetyl]amino]propyl]-2-methylprop-2-enamide
PubChem CID122467378
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC NameN-[3-[[2-(2-ethoxyethoxy)acetyl]amino]propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCNC(=O)COCCOCC
InChIInChI=1S/C13H24N2O4/c1-4-18-8-9-19-10-12(16)14-6-5-7-15-13(17)11(2)3/h2,4-10H2,1,3H3,(H,14,16)(H,15,17)
InChIKeyCWACRUQOCUVDJW-UHFFFAOYSA-N
XLogP0.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[3-[[2-(2-ethoxyethoxy)acetyl]amino]propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-[[2-(2-ethoxyethoxy)acetyl]amino]propyl]-2-methylprop-2-enamide (CID 122467378) is N-[3-[[2-(2-ethoxyethoxy)acetyl]amino]propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-[[2-(2-ethoxyethoxy)acetyl]amino]propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-[[2-(2-ethoxyethoxy)acetyl]amino]propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCNC(=O)COCCOCC.
What is the InChIKey of N-[3-[[2-(2-ethoxyethoxy)acetyl]amino]propyl]-2-methylprop-2-enamide?
The InChIKey is CWACRUQOCUVDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-18-8-9-19-10-12(16)14-6-5-7-15-13(17)11(2)3/h2,4-10H2,1,3H3,(H,14,16)(H,15,17).
What are the key properties of N-[3-[[2-(2-ethoxyethoxy)acetyl]amino]propyl]-2-methylprop-2-enamide?
N-[3-[[2-(2-ethoxyethoxy)acetyl]amino]propyl]-2-methylprop-2-enamide has a molecular weight of 272.34 g/mol, XLogP of 0.24, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-ethoxyethoxy)acetyl]amino]propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 122467378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).