3-[2-(3-methoxypropoxy)ethylamino]butanamide

C10H22N2O3 — CID 103179519

IUPAC3-[2-(3-methoxypropoxy)ethylamino]butanamide
SMILESCOCCCOCCNC(C)CC(N)=O
InChIInChI=1S/C10H22N2O3/c1-9(8-10(11)13)12-4-7-15-6-3-5-14-2/h9,12H,3-8H2,1-2H3,(H2,11,13)
InChIKeyIFRLTWKJZARPOI-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.11
Rot. Bonds10

About 3-[2-(3-methoxypropoxy)ethylamino]butanamide

3-[2-(3-methoxypropoxy)ethylamino]butanamide (PubChem CID 103179519) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[2-(3-methoxypropoxy)ethylamino]butanamide.

Molecular Properties

Compound Name3-[2-(3-methoxypropoxy)ethylamino]butanamide
PubChem CID103179519
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name3-[2-(3-methoxypropoxy)ethylamino]butanamide
SMILESCOCCCOCCNC(C)CC(N)=O
InChIInChI=1S/C10H22N2O3/c1-9(8-10(11)13)12-4-7-15-6-3-5-14-2/h9,12H,3-8H2,1-2H3,(H2,11,13)
InChIKeyIFRLTWKJZARPOI-UHFFFAOYSA-N
XLogP-0.11
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 ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[2-(3-methoxypropoxy)ethylamino]butanamide?
The IUPAC name of 3-[2-(3-methoxypropoxy)ethylamino]butanamide (CID 103179519) is 3-[2-(3-methoxypropoxy)ethylamino]butanamide.
What is the SMILES notation for 3-[2-(3-methoxypropoxy)ethylamino]butanamide?
The canonical SMILES for 3-[2-(3-methoxypropoxy)ethylamino]butanamide is COCCCOCCNC(C)CC(N)=O.
What is the InChIKey of 3-[2-(3-methoxypropoxy)ethylamino]butanamide?
The InChIKey is IFRLTWKJZARPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-9(8-10(11)13)12-4-7-15-6-3-5-14-2/h9,12H,3-8H2,1-2H3,(H2,11,13).
What are the key properties of 3-[2-(3-methoxypropoxy)ethylamino]butanamide?
3-[2-(3-methoxypropoxy)ethylamino]butanamide has a molecular weight of 218.30 g/mol, XLogP of -0.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxypropoxy)ethylamino]butanamide is sourced from PubChem (CID 103179519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).