N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-enamide

C9H17NO3 — CID 15332975

IUPACN-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCOCCOC
InChIInChI=1S/C9H17NO3/c1-8(2)9(11)10-4-5-13-7-6-12-3/h1,4-7H2,2-3H3,(H,10,11)
InChIKeyVUKPZVKHIWGVMR-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.34
Rot. Bonds7

About N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-enamide

N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-enamide (PubChem CID 15332975) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-enamide
PubChem CID15332975
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCOCCOC
InChIInChI=1S/C9H17NO3/c1-8(2)9(11)10-4-5-13-7-6-12-3/h1,4-7H2,2-3H3,(H,10,11)
InChIKeyVUKPZVKHIWGVMR-UHFFFAOYSA-N
XLogP0.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.34
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 N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-enamide (CID 15332975) is N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCOCCOC.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-enamide?
The InChIKey is VUKPZVKHIWGVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(2)9(11)10-4-5-13-7-6-12-3/h1,4-7H2,2-3H3,(H,10,11).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-enamide?
N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-enamide has a molecular weight of 187.24 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 15332975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).