N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide

C13H26N2O3 — CID 106307941

IUPACN-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCCCOCCN)C1
InChIInChI=1S/C13H26N2O3/c1-2-18-12-8-11(9-12)10-13(16)15-5-3-6-17-7-4-14/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyLPEKFQWHUJIHME-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.67
Rot. Bonds10

About N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide

N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 106307941) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
PubChem CID106307941
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCCCOCCN)C1
InChIInChI=1S/C13H26N2O3/c1-2-18-12-8-11(9-12)10-13(16)15-5-3-6-17-7-4-14/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyLPEKFQWHUJIHME-UHFFFAOYSA-N
XLogP0.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.67
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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Related Compounds

N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
CID 106307815
N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164383
N-(5-amino-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide
CID 106153157
5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid
CID 103161944
N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166301
2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide
CID 103270054
2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide
CID 62783140
2-(2-aminoethoxy)-N-(3-ethoxypropyl)acetamide
CID 79463091
N-(3-butoxypropyl)-2-cyclopentylacetamide
CID 78785153
N-[3-(2-aminoethoxy)propyl]dodecanamide
CID 106307810
N-(3-ethoxypropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969773
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]acetic acid
CID 103161702

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide (CID 106307941) is N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)NCCCOCCN)C1.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is LPEKFQWHUJIHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-2-18-12-8-11(9-12)10-13(16)15-5-3-6-17-7-4-14/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide?
N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 0.67, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 106307941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).