N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide

C11H20ClNO2 — CID 103164383

IUPACN-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCCCCl)C1
InChIInChI=1S/C11H20ClNO2/c1-2-15-10-6-9(7-10)8-11(14)13-5-3-4-12/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyUREGSRJKOMFKPU-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.94
Rot. Bonds7

About N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide

N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 103164383) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID103164383
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC NameN-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NCCCCl)C1
InChIInChI=1S/C11H20ClNO2/c1-2-15-10-6-9(7-10)8-11(14)13-5-3-4-12/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyUREGSRJKOMFKPU-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid
CID 103161944
2-(3-ethoxycyclobutyl)-N-pent-4-ynylacetamide
CID 103270054
N-[3-(2-bromoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
CID 106307815
N-(3-azidopropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166301
N-[3-(2-aminoethoxy)propyl]-2-(3-ethoxycyclobutyl)acetamide
CID 106307941
N-(5-amino-4-methylpentyl)-2-(3-ethoxycyclobutyl)acetamide
CID 106153157
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]acetic acid
CID 103161702
N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 114147988
2-(3-ethoxycyclobutyl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide
CID 103164863
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 106355819
N-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166695
N-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166726

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide (CID 103164383) is N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)NCCCCl)C1.
What is the InChIKey of N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is UREGSRJKOMFKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-2-15-10-6-9(7-10)8-11(14)13-5-3-4-12/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide?
N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 233.74 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 103164383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).