4-amino-N-(2-methoxyethyl)butanamide

C7H16N2O2 — CID 22692133

IUPAC4-amino-N-(2-methoxyethyl)butanamide
SMILESCOCCNC(=O)CCCN
InChIInChI=1S/C7H16N2O2/c1-11-6-5-9-7(10)3-2-4-8/h2-6,8H2,1H3,(H,9,10)
InChIKeyIXZGRVOZBMNIDD-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.51
Rot. Bonds6

About 4-amino-N-(2-methoxyethyl)butanamide

4-amino-N-(2-methoxyethyl)butanamide (PubChem CID 22692133) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-amino-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxyethyl)butanamide
PubChem CID22692133
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name4-amino-N-(2-methoxyethyl)butanamide
SMILESCOCCNC(=O)CCCN
InChIInChI=1S/C7H16N2O2/c1-11-6-5-9-7(10)3-2-4-8/h2-6,8H2,1H3,(H,9,10)
InChIKeyIXZGRVOZBMNIDD-UHFFFAOYSA-N
XLogP-0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
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-methoxyethyl)butanamide?
The IUPAC name of 4-amino-N-(2-methoxyethyl)butanamide (CID 22692133) is 4-amino-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for 4-amino-N-(2-methoxyethyl)butanamide?
The canonical SMILES for 4-amino-N-(2-methoxyethyl)butanamide is COCCNC(=O)CCCN.
What is the InChIKey of 4-amino-N-(2-methoxyethyl)butanamide?
The InChIKey is IXZGRVOZBMNIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-11-6-5-9-7(10)3-2-4-8/h2-6,8H2,1H3,(H,9,10).
What are the key properties of 4-amino-N-(2-methoxyethyl)butanamide?
4-amino-N-(2-methoxyethyl)butanamide has a molecular weight of 160.22 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 22692133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).