N-(4-aminobutyl)-2-methoxyacetamide;hydrochloride

C7H17ClN2O2 — CID 118721808

IUPACN-(4-aminobutyl)-2-methoxyacetamide;hydrochloride
SMILESCOCC(=O)NCCCCN.Cl
InChIInChI=1S/C7H16N2O2.ClH/c1-11-6-7(10)9-5-3-2-4-8;/h2-6,8H2,1H3,(H,9,10);1H
InChIKeyVZKHRZUFHBMSBT-UHFFFAOYSA-N
MW196.68 g/mol
LogP-0.09
Rot. Bonds6

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

N-(4-aminobutyl)-2-methoxyacetamide;hydrochloride (PubChem CID 118721808) has the molecular formula C7H17ClN2O2 and a molecular weight of 196.68 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-methoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-methoxyacetamide;hydrochloride
PubChem CID118721808
Molecular FormulaC7H17ClN2O2
Molecular Weight196.68 g/mol
Exact Mass196.10
IUPAC NameN-(4-aminobutyl)-2-methoxyacetamide;hydrochloride
SMILESCOCC(=O)NCCCCN.Cl
InChIInChI=1S/C7H16N2O2.ClH/c1-11-6-7(10)9-5-3-2-4-8;/h2-6,8H2,1H3,(H,9,10);1H
InChIKeyVZKHRZUFHBMSBT-UHFFFAOYSA-N
XLogP-0.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 5-0.09
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;hydrochloride?
The IUPAC name of N-(4-aminobutyl)-2-methoxyacetamide;hydrochloride (CID 118721808) is N-(4-aminobutyl)-2-methoxyacetamide;hydrochloride.
What is the SMILES notation for N-(4-aminobutyl)-2-methoxyacetamide;hydrochloride?
The canonical SMILES for N-(4-aminobutyl)-2-methoxyacetamide;hydrochloride is COCC(=O)NCCCCN.Cl.
What is the InChIKey of N-(4-aminobutyl)-2-methoxyacetamide;hydrochloride?
The InChIKey is VZKHRZUFHBMSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2.ClH/c1-11-6-7(10)9-5-3-2-4-8;/h2-6,8H2,1H3,(H,9,10);1H.
What are the key properties of N-(4-aminobutyl)-2-methoxyacetamide;hydrochloride?
N-(4-aminobutyl)-2-methoxyacetamide;hydrochloride has a molecular weight of 196.68 g/mol, XLogP of -0.09, 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;hydrochloride is sourced from PubChem (CID 118721808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).