N-(3-bromopropyl)-N-cyclobutyl-2-propan-2-yloxyacetamide

C12H22BrNO2 — CID 102872450

IUPACN-(3-bromopropyl)-N-cyclobutyl-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N(CCCBr)C1CCC1
InChIInChI=1S/C12H22BrNO2/c1-10(2)16-9-12(15)14(8-4-7-13)11-5-3-6-11/h10-11H,3-9H2,1-2H3
InChIKeyFUXIFARFIPPLGM-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.58
Rot. Bonds7

About N-(3-bromopropyl)-N-cyclobutyl-2-propan-2-yloxyacetamide

N-(3-bromopropyl)-N-cyclobutyl-2-propan-2-yloxyacetamide (PubChem CID 102872450) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-2-propan-2-yloxyacetamide
PubChem CID102872450
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N(CCCBr)C1CCC1
InChIInChI=1S/C12H22BrNO2/c1-10(2)16-9-12(15)14(8-4-7-13)11-5-3-6-11/h10-11H,3-9H2,1-2H3
InChIKeyFUXIFARFIPPLGM-UHFFFAOYSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-cyclohexyl-2-propan-2-yloxyacetamide
CID 112604227
N-(3-bromopropyl)-N-cyclobutylpropanamide
CID 102872394
N-cyclohexyl-N-(2-ethylsulfanylethyl)-2-propan-2-yloxyacetamide
CID 46990211
N-cyclopentyl-N-methyl-2-propan-2-yloxyacetamide
CID 112686921
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide
CID 112602755
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propan-2-yloxyacetamide
CID 103940496
N-(3-bromopropyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102872516
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide
CID 80659612
N-cyclohexyl-5-propan-2-yloxy-N-propylpentanamide
CID 153483419
N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxyacetamide
CID 102866415
N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide
CID 113227391
N-(3-bromopropyl)-N-cyclobutyl-3-propan-2-yloxybenzamide
CID 102872526

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-2-propan-2-yloxyacetamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-2-propan-2-yloxyacetamide (CID 102872450) is N-(3-bromopropyl)-N-cyclobutyl-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-2-propan-2-yloxyacetamide is CC(C)OCC(=O)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-2-propan-2-yloxyacetamide?
The InChIKey is FUXIFARFIPPLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c1-10(2)16-9-12(15)14(8-4-7-13)11-5-3-6-11/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-2-propan-2-yloxyacetamide?
N-(3-bromopropyl)-N-cyclobutyl-2-propan-2-yloxyacetamide has a molecular weight of 292.22 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutyl-2-propan-2-yloxyacetamide is sourced from PubChem (CID 102872450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).