2-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide

C12H22BrNO2 — CID 60948207

IUPAC2-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)N(CCO)C1CCCC1
InChIInChI=1S/C12H22BrNO2/c1-9(2)11(13)12(16)14(7-8-15)10-5-3-4-6-10/h9-11,15H,3-8H2,1-2H3
InChIKeyHVWCRSOMYFMYBF-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.17
Rot. Bonds5

About 2-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide

2-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide (PubChem CID 60948207) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 2-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide
PubChem CID60948207
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC Name2-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)N(CCO)C1CCCC1
InChIInChI=1S/C12H22BrNO2/c1-9(2)11(13)12(16)14(7-8-15)10-5-3-4-6-10/h9-11,15H,3-8H2,1-2H3
InChIKeyHVWCRSOMYFMYBF-UHFFFAOYSA-N
XLogP2.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide?
The IUPAC name of 2-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide (CID 60948207) is 2-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide is CC(C)C(Br)C(=O)N(CCO)C1CCCC1.
What is the InChIKey of 2-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide?
The InChIKey is HVWCRSOMYFMYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c1-9(2)11(13)12(16)14(7-8-15)10-5-3-4-6-10/h9-11,15H,3-8H2,1-2H3.
What are the key properties of 2-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide?
2-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide has a molecular weight of 292.22 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide is sourced from PubChem (CID 60948207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).