4-amino-N-(2-ethoxyethyl)-N-methylbutanamide

C9H20N2O2 — CID 81058942

IUPAC4-amino-N-(2-ethoxyethyl)-N-methylbutanamide
SMILESCCOCCN(C)C(=O)CCCN
InChIInChI=1S/C9H20N2O2/c1-3-13-8-7-11(2)9(12)5-4-6-10/h3-8,10H2,1-2H3
InChIKeyCLJWJIWPDHSHFY-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.22
Rot. Bonds7

About 4-amino-N-(2-ethoxyethyl)-N-methylbutanamide

4-amino-N-(2-ethoxyethyl)-N-methylbutanamide (PubChem CID 81058942) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-amino-N-(2-ethoxyethyl)-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-ethoxyethyl)-N-methylbutanamide
PubChem CID81058942
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name4-amino-N-(2-ethoxyethyl)-N-methylbutanamide
SMILESCCOCCN(C)C(=O)CCCN
InChIInChI=1S/C9H20N2O2/c1-3-13-8-7-11(2)9(12)5-4-6-10/h3-8,10H2,1-2H3
InChIKeyCLJWJIWPDHSHFY-UHFFFAOYSA-N
XLogP0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.22
H-Bond Donors ≤ 51
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 4-amino-N-(2-ethoxyethyl)-N-methylbutanamide?
The IUPAC name of 4-amino-N-(2-ethoxyethyl)-N-methylbutanamide (CID 81058942) is 4-amino-N-(2-ethoxyethyl)-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-(2-ethoxyethyl)-N-methylbutanamide?
The canonical SMILES for 4-amino-N-(2-ethoxyethyl)-N-methylbutanamide is CCOCCN(C)C(=O)CCCN.
What is the InChIKey of 4-amino-N-(2-ethoxyethyl)-N-methylbutanamide?
The InChIKey is CLJWJIWPDHSHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-13-8-7-11(2)9(12)5-4-6-10/h3-8,10H2,1-2H3.
What are the key properties of 4-amino-N-(2-ethoxyethyl)-N-methylbutanamide?
4-amino-N-(2-ethoxyethyl)-N-methylbutanamide has a molecular weight of 188.27 g/mol, XLogP of 0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethoxyethyl)-N-methylbutanamide is sourced from PubChem (CID 81058942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).