N-ethyl-N-[2-(2-methoxyethoxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide

C12H21NO3 — CID 166427443

IUPACN-ethyl-N-[2-(2-methoxyethoxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide
SMILESCCN(CCOCCOC)C(=O)C12CC1C2
InChIInChI=1S/C12H21NO3/c1-3-13(4-5-16-7-6-15-2)11(14)12-8-10(12)9-12/h10H,3-9H2,1-2H3
InChIKeyHQCPJBUKARQPJG-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.91
Rot. Bonds8

About N-ethyl-N-[2-(2-methoxyethoxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide

N-ethyl-N-[2-(2-methoxyethoxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 166427443) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-methoxyethoxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-methoxyethoxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide
PubChem CID166427443
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-ethyl-N-[2-(2-methoxyethoxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide
SMILESCCN(CCOCCOC)C(=O)C12CC1C2
InChIInChI=1S/C12H21NO3/c1-3-13(4-5-16-7-6-15-2)11(14)12-8-10(12)9-12/h10H,3-9H2,1-2H3
InChIKeyHQCPJBUKARQPJG-UHFFFAOYSA-N
XLogP0.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-methoxyethoxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-ethyl-N-[2-(2-methoxyethoxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide (CID 166427443) is N-ethyl-N-[2-(2-methoxyethoxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(2-methoxyethoxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(2-methoxyethoxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide is CCN(CCOCCOC)C(=O)C12CC1C2.
What is the InChIKey of N-ethyl-N-[2-(2-methoxyethoxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is HQCPJBUKARQPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-13(4-5-16-7-6-15-2)11(14)12-8-10(12)9-12/h10H,3-9H2,1-2H3.
What are the key properties of N-ethyl-N-[2-(2-methoxyethoxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide?
N-ethyl-N-[2-(2-methoxyethoxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 0.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-methoxyethoxy)ethyl]bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 166427443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).