N-(3-bromopropyl)-N-cyclobutylpropanamide

C10H18BrNO — CID 102872394

IUPACN-(3-bromopropyl)-N-cyclobutylpropanamide
SMILESCCC(=O)N(CCCBr)C1CCC1
InChIInChI=1S/C10H18BrNO/c1-2-10(13)12(8-4-7-11)9-5-3-6-9/h9H,2-8H2,1H3
InChIKeyYYEWUHIPSFEHPO-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.56
Rot. Bonds5

About N-(3-bromopropyl)-N-cyclobutylpropanamide

N-(3-bromopropyl)-N-cyclobutylpropanamide (PubChem CID 102872394) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutylpropanamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutylpropanamide
PubChem CID102872394
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC NameN-(3-bromopropyl)-N-cyclobutylpropanamide
SMILESCCC(=O)N(CCCBr)C1CCC1
InChIInChI=1S/C10H18BrNO/c1-2-10(13)12(8-4-7-11)9-5-3-6-9/h9H,2-8H2,1H3
InChIKeyYYEWUHIPSFEHPO-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bromobutanoic acid diiso propylamide
CID 13036616
delta-Bromopentanoic acid diisopropylamide
CID 85997988
2,2-dibromon,N-diisopropylpropanamide
CID 145722132
N-(3-bromopropyl)-N-cyclobutyl-3,3,3-trifluoropropanamide
CID 102872271
N-(3-bromopropyl)-N-cyclobutyl-4,4,4-trifluorobutanamide
CID 102872495
2-Bromo-n,n-di(butan-2-yl)propanamide
CID 219917
2-bromo-N-butan-2-yl-N-butylpropanamide
CID 107904356
N-(4-Bromobutanoyl)-(n-butyl)-methylamine
CID 18679875
4-bromo-N,N-di(propan-2-yl)butanamide
CID 23249395
N-cyclobutyl-N-methylpropanamide
CID 68152684
N-cyclobutyl-N-propylacetamide
CID 89200457
N-cyclobutyl-N-methylbutanamide
CID 115649129

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutylpropanamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutylpropanamide (CID 102872394) is N-(3-bromopropyl)-N-cyclobutylpropanamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutylpropanamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutylpropanamide is CCC(=O)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutylpropanamide?
The InChIKey is YYEWUHIPSFEHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-2-10(13)12(8-4-7-11)9-5-3-6-9/h9H,2-8H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-cyclobutylpropanamide?
N-(3-bromopropyl)-N-cyclobutylpropanamide has a molecular weight of 248.16 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutylpropanamide is sourced from PubChem (CID 102872394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).