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

C13H24BrNO3 — CID 106307815

IUPACN-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCCCOCCBr)C1
InChIInChI=1S/C13H24BrNO3/c1-2-18-12-8-11(9-12)10-13(16)15-5-3-6-17-7-4-14/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyOKNXWHKHPKGMDN-UHFFFAOYSA-N
MW322.24 g/mol
LogP2.11
Rot. Bonds10

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

N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 106307815) has the molecular formula C13H24BrNO3 and a molecular weight of 322.24 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
PubChem CID106307815
Molecular FormulaC13H24BrNO3
Molecular Weight322.24 g/mol
Exact Mass321.09
IUPAC NameN-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCCCOCCBr)C1
InChIInChI=1S/C13H24BrNO3/c1-2-18-12-8-11(9-12)10-13(16)15-5-3-6-17-7-4-14/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyOKNXWHKHPKGMDN-UHFFFAOYSA-N
XLogP2.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
CID 106307941
N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164383
5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid
CID 103161944
2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide
CID 103270054
N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166301
N-(5-amino-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide
CID 106153157
2-(3-aminocyclohexyl)-N-(3-ethoxypropyl)acetamide
CID 62783140
N-(3-butoxypropyl)-2-cyclopentylacetamide
CID 78785153
N-(3-ethoxypropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969773
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]acetic acid
CID 103161702
N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 114147988
N-[2-(2-bromoethyl)pentyl]-2-(3-ethoxycyclobutyl)acetamide
CID 114145799

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide (CID 106307815) is N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)NCCCOCCBr)C1.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is OKNXWHKHPKGMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO3/c1-2-18-12-8-11(9-12)10-13(16)15-5-3-6-17-7-4-14/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide?
N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 322.24 g/mol, XLogP of 2.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 106307815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).