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

C13H24BrNO2 — CID 54874971

IUPAC2-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C13H24BrNO2/c1-10(2)12(14)13(17)15(8-9-16)11-6-4-3-5-7-11/h10-12,16H,3-9H2,1-2H3
InChIKeyHIMGKKBBIRQXQC-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.56
Rot. Bonds5

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

2-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-3-methylbutanamide (PubChem CID 54874971) has the molecular formula C13H24BrNO2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-3-methylbutanamide
PubChem CID54874971
Molecular FormulaC13H24BrNO2
Molecular Weight306.24 g/mol
Exact Mass305.10
IUPAC Name2-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C13H24BrNO2/c1-10(2)12(14)13(17)15(8-9-16)11-6-4-3-5-7-11/h10-12,16H,3-9H2,1-2H3
InChIKeyHIMGKKBBIRQXQC-UHFFFAOYSA-N
XLogP2.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.56
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-cyclohexyl-N-(2-hydroxyethyl)-3-methylbutanamide?
The IUPAC name of 2-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-3-methylbutanamide (CID 54874971) is 2-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-3-methylbutanamide is CC(C)C(Br)C(=O)N(CCO)C1CCCCC1.
What is the InChIKey of 2-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-3-methylbutanamide?
The InChIKey is HIMGKKBBIRQXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2/c1-10(2)12(14)13(17)15(8-9-16)11-6-4-3-5-7-11/h10-12,16H,3-9H2,1-2H3.
What are the key properties of 2-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-3-methylbutanamide?
2-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-3-methylbutanamide has a molecular weight of 306.24 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclohexyl-N-(2-hydroxyethyl)-3-methylbutanamide is sourced from PubChem (CID 54874971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).