N-(4-aminobutyl)-2-methoxyacetamide

C7H16N2O2 — CID 61279183

IUPACN-(4-aminobutyl)-2-methoxyacetamide
SMILESCOCC(=O)NCCCCN
InChIInChI=1S/C7H16N2O2/c1-11-6-7(10)9-5-3-2-4-8/h2-6,8H2,1H3,(H,9,10)
InChIKeyIFRJLFMXMPPKAO-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.51
Rot. Bonds6

About N-(4-aminobutyl)-2-methoxyacetamide

N-(4-aminobutyl)-2-methoxyacetamide (PubChem CID 61279183) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-methoxyacetamide
PubChem CID61279183
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC NameN-(4-aminobutyl)-2-methoxyacetamide
SMILESCOCC(=O)NCCCCN
InChIInChI=1S/C7H16N2O2/c1-11-6-7(10)9-5-3-2-4-8/h2-6,8H2,1H3,(H,9,10)
InChIKeyIFRJLFMXMPPKAO-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 N-(4-aminobutyl)-2-methoxyacetamide?
The IUPAC name of N-(4-aminobutyl)-2-methoxyacetamide (CID 61279183) is N-(4-aminobutyl)-2-methoxyacetamide.
What is the SMILES notation for N-(4-aminobutyl)-2-methoxyacetamide?
The canonical SMILES for N-(4-aminobutyl)-2-methoxyacetamide is COCC(=O)NCCCCN.
What is the InChIKey of N-(4-aminobutyl)-2-methoxyacetamide?
The InChIKey is IFRJLFMXMPPKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-11-6-7(10)9-5-3-2-4-8/h2-6,8H2,1H3,(H,9,10).
What are the key properties of N-(4-aminobutyl)-2-methoxyacetamide?
N-(4-aminobutyl)-2-methoxyacetamide 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 N-(4-aminobutyl)-2-methoxyacetamide is sourced from PubChem (CID 61279183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).