N-(4-aminobutyl)-2-(3-ethoxycyclobutyl)acetamide

C12H24N2O2 — CID 103161429

IUPACN-(4-aminobutyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCCCCN)C1
InChIInChI=1S/C12H24N2O2/c1-2-16-11-7-10(8-11)9-12(15)14-6-4-3-5-13/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyIBFSVCCXFGOPEY-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds8

About N-(4-aminobutyl)-2-(3-ethoxycyclobutyl)acetamide

N-(4-aminobutyl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 103161429) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID103161429
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(4-aminobutyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCCCCN)C1
InChIInChI=1S/C12H24N2O2/c1-2-16-11-7-10(8-11)9-12(15)14-6-4-3-5-13/h10-11H,2-9,13H2,1H3,(H,14,15)
InChIKeyIBFSVCCXFGOPEY-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
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-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(4-aminobutyl)-2-(3-ethoxycyclobutyl)acetamide (CID 103161429) is N-(4-aminobutyl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(4-aminobutyl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(4-aminobutyl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)NCCCCN)C1.
What is the InChIKey of N-(4-aminobutyl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is IBFSVCCXFGOPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-16-11-7-10(8-11)9-12(15)14-6-4-3-5-13/h10-11H,2-9,13H2,1H3,(H,14,15).
What are the key properties of N-(4-aminobutyl)-2-(3-ethoxycyclobutyl)acetamide?
N-(4-aminobutyl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 103161429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).