2-bromo-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylbutanamide

C10H20BrNO2 — CID 43578918

IUPAC2-bromo-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)C(Br)C(=O)N(CCO)C(C)C
InChIInChI=1S/C10H20BrNO2/c1-7(2)9(11)10(14)12(5-6-13)8(3)4/h7-9,13H,5-6H2,1-4H3
InChIKeyBWBRAXOVQCZYGE-UHFFFAOYSA-N
MW266.18 g/mol
LogP1.64
Rot. Bonds5

About 2-bromo-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylbutanamide

2-bromo-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylbutanamide (PubChem CID 43578918) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylbutanamide
PubChem CID43578918
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC Name2-bromo-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)C(Br)C(=O)N(CCO)C(C)C
InChIInChI=1S/C10H20BrNO2/c1-7(2)9(11)10(14)12(5-6-13)8(3)4/h7-9,13H,5-6H2,1-4H3
InChIKeyBWBRAXOVQCZYGE-UHFFFAOYSA-N
XLogP1.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 51.64
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-(2-hydroxyethyl)-3-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 2-bromo-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylbutanamide (CID 43578918) is 2-bromo-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2-bromo-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylbutanamide is CC(C)C(Br)C(=O)N(CCO)C(C)C.
What is the InChIKey of 2-bromo-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylbutanamide?
The InChIKey is BWBRAXOVQCZYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2/c1-7(2)9(11)10(14)12(5-6-13)8(3)4/h7-9,13H,5-6H2,1-4H3.
What are the key properties of 2-bromo-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylbutanamide?
2-bromo-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylbutanamide has a molecular weight of 266.18 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 43578918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).