N-(4-aminooxybutyl)-5-methoxypentanamide

C10H22N2O3 — CID 59687879

IUPACN-(4-aminooxybutyl)-5-methoxypentanamide
SMILESCOCCCCC(=O)NCCCCON
InChIInChI=1S/C10H22N2O3/c1-14-8-4-2-6-10(13)12-7-3-5-9-15-11/h2-9,11H2,1H3,(H,12,13)
InChIKeyIIKYZHCMXATGOU-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.59
Rot. Bonds10

About N-(4-aminooxybutyl)-5-methoxypentanamide

N-(4-aminooxybutyl)-5-methoxypentanamide (PubChem CID 59687879) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(4-aminooxybutyl)-5-methoxypentanamide.

Molecular Properties

Compound NameN-(4-aminooxybutyl)-5-methoxypentanamide
PubChem CID59687879
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC NameN-(4-aminooxybutyl)-5-methoxypentanamide
SMILESCOCCCCC(=O)NCCCCON
InChIInChI=1S/C10H22N2O3/c1-14-8-4-2-6-10(13)12-7-3-5-9-15-11/h2-9,11H2,1H3,(H,12,13)
InChIKeyIIKYZHCMXATGOU-UHFFFAOYSA-N
XLogP0.59
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminooxybutyl)-5-methoxypentanamide?
The IUPAC name of N-(4-aminooxybutyl)-5-methoxypentanamide (CID 59687879) is N-(4-aminooxybutyl)-5-methoxypentanamide.
What is the SMILES notation for N-(4-aminooxybutyl)-5-methoxypentanamide?
The canonical SMILES for N-(4-aminooxybutyl)-5-methoxypentanamide is COCCCCC(=O)NCCCCON.
What is the InChIKey of N-(4-aminooxybutyl)-5-methoxypentanamide?
The InChIKey is IIKYZHCMXATGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-14-8-4-2-6-10(13)12-7-3-5-9-15-11/h2-9,11H2,1H3,(H,12,13).
What are the key properties of N-(4-aminooxybutyl)-5-methoxypentanamide?
N-(4-aminooxybutyl)-5-methoxypentanamide has a molecular weight of 218.30 g/mol, XLogP of 0.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminooxybutyl)-5-methoxypentanamide is sourced from PubChem (CID 59687879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).