N-(3-bromopropyl)-2-cyclobutylacetamide

C9H16BrNO — CID 103164386

IUPACN-(3-bromopropyl)-2-cyclobutylacetamide
SMILESO=C(CC1CCC1)NCCCBr
InChIInChI=1S/C9H16BrNO/c10-5-2-6-11-9(12)7-8-3-1-4-8/h8H,1-7H2,(H,11,12)
InChIKeyAQOZUCDGGKGRKE-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.08
Rot. Bonds5

About N-(3-bromopropyl)-2-cyclobutylacetamide

N-(3-bromopropyl)-2-cyclobutylacetamide (PubChem CID 103164386) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is N-(3-bromopropyl)-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2-cyclobutylacetamide
PubChem CID103164386
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC NameN-(3-bromopropyl)-2-cyclobutylacetamide
SMILESO=C(CC1CCC1)NCCCBr
InChIInChI=1S/C9H16BrNO/c10-5-2-6-11-9(12)7-8-3-1-4-8/h8H,1-7H2,(H,11,12)
InChIKeyAQOZUCDGGKGRKE-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(5-bromopentyl)-2-cyclobutylacetamide
CID 107322053
2-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 103799929
N-(3-aminopropyl)-2-cyclopentylacetamide
CID 24706958
N-(2-chloroethyl)-2-cyclobutylacetamide
CID 103164388
N-(4-cyanobutyl)-2-cyclobutylacetamide
CID 103707324
2-cyclohexyl-N-octylacetamide
CID 3547359
2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119432481
N-but-3-ynyl-2-cyclobutylacetamide
CID 103707500
2-cyclohexyl-N-pent-4-ynylacetamide
CID 103709024
2-cyclopropyl-N-pentylacetamide
CID 66755217
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-cyclobutylacetamide
CID 103166815
2-cyano-N-[3-[(2-cyclohexylacetyl)amino]propyl]acetamide
CID 108924398

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2-cyclobutylacetamide?
The IUPAC name of N-(3-bromopropyl)-2-cyclobutylacetamide (CID 103164386) is N-(3-bromopropyl)-2-cyclobutylacetamide.
What is the SMILES notation for N-(3-bromopropyl)-2-cyclobutylacetamide?
The canonical SMILES for N-(3-bromopropyl)-2-cyclobutylacetamide is O=C(CC1CCC1)NCCCBr.
What is the InChIKey of N-(3-bromopropyl)-2-cyclobutylacetamide?
The InChIKey is AQOZUCDGGKGRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c10-5-2-6-11-9(12)7-8-3-1-4-8/h8H,1-7H2,(H,11,12).
What are the key properties of N-(3-bromopropyl)-2-cyclobutylacetamide?
N-(3-bromopropyl)-2-cyclobutylacetamide has a molecular weight of 234.14 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2-cyclobutylacetamide is sourced from PubChem (CID 103164386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).