3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide

C9H16BrNO2 — CID 102861214

IUPAC3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCBr)N(CCO)C1CCC1
InChIInChI=1S/C9H16BrNO2/c10-5-4-9(13)11(6-7-12)8-2-1-3-8/h8,12H,1-7H2
InChIKeyNRVTZHXPIKDPBY-UHFFFAOYSA-N
MW250.14 g/mol
LogP1.14
Rot. Bonds5

About 3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide

3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide (PubChem CID 102861214) has the molecular formula C9H16BrNO2 and a molecular weight of 250.14 g/mol. Its IUPAC name is 3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
PubChem CID102861214
Molecular FormulaC9H16BrNO2
Molecular Weight250.14 g/mol
Exact Mass249.04
IUPAC Name3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCBr)N(CCO)C1CCC1
InChIInChI=1S/C9H16BrNO2/c10-5-4-9(13)11(6-7-12)8-2-1-3-8/h8,12H,1-7H2
InChIKeyNRVTZHXPIKDPBY-UHFFFAOYSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 63679872
N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide
CID 107026376
5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)pentanamide
CID 102861187
N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 102875349
N-cyclobutyl-3-(cyclopropylamino)-N-(2-hydroxyethyl)propanamide
CID 102862128
6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 54875131
N-cyclobutyl-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 102862058
N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
CID 102862127
3-(4-aminocyclohexyl)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102871199
N-cyclobutyl-2-(dimethylamino)-N-(2-hydroxyethyl)acetamide
CID 102685214
N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102873270
N-cyclohexyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide
CID 54942745

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide (CID 102861214) is 3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide is O=C(CCBr)N(CCO)C1CCC1.
What is the InChIKey of 3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide?
The InChIKey is NRVTZHXPIKDPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO2/c10-5-4-9(13)11(6-7-12)8-2-1-3-8/h8,12H,1-7H2.
What are the key properties of 3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide?
3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 250.14 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 102861214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).