4-bromo-N,N-ditert-butylbutanamide

C12H24BrNO — CID 134202190

IUPAC4-bromo-N,N-ditert-butylbutanamide
SMILESCC(C)(C)N(C(=O)CCCBr)C(C)(C)C
InChIInChI=1S/C12H24BrNO/c1-11(2,3)14(12(4,5)6)10(15)8-7-9-13/h7-9H2,1-6H3
InChIKeyIRIJUWALQGTDTA-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.59
Rot. Bonds3

About 4-bromo-N,N-ditert-butylbutanamide

4-bromo-N,N-ditert-butylbutanamide (PubChem CID 134202190) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-bromo-N,N-ditert-butylbutanamide.

Molecular Properties

Compound Name4-bromo-N,N-ditert-butylbutanamide
PubChem CID134202190
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC Name4-bromo-N,N-ditert-butylbutanamide
SMILESCC(C)(C)N(C(=O)CCCBr)C(C)(C)C
InChIInChI=1S/C12H24BrNO/c1-11(2,3)14(12(4,5)6)10(15)8-7-9-13/h7-9H2,1-6H3
InChIKeyIRIJUWALQGTDTA-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 11459002
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CID 168865726
N-(4-aminobutyl)-N-(8-bromooctyl)-5,5,6,6-tetramethylheptanamide
CID 172581224
6-bromo-2-methylhexan-3-one
CID 12643721
6-bromo-N,N-dioctylhexanamide
CID 533338
8-bromo-N,N-didecyloctanamide;ethane
CID 168943816
lithium 4-bromobutanoate
CID 23701055
1,7-dibromo-4,4-dimethylheptane-3,5-dione
CID 19839144
8-bromo-4,4-dimethyloctanoic acid
CID 176602791
5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide
CID 107910777
5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide
CID 107910640

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-ditert-butylbutanamide?
The IUPAC name of 4-bromo-N,N-ditert-butylbutanamide (CID 134202190) is 4-bromo-N,N-ditert-butylbutanamide.
What is the SMILES notation for 4-bromo-N,N-ditert-butylbutanamide?
The canonical SMILES for 4-bromo-N,N-ditert-butylbutanamide is CC(C)(C)N(C(=O)CCCBr)C(C)(C)C.
What is the InChIKey of 4-bromo-N,N-ditert-butylbutanamide?
The InChIKey is IRIJUWALQGTDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-11(2,3)14(12(4,5)6)10(15)8-7-9-13/h7-9H2,1-6H3.
What are the key properties of 4-bromo-N,N-ditert-butylbutanamide?
4-bromo-N,N-ditert-butylbutanamide has a molecular weight of 278.23 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-ditert-butylbutanamide is sourced from PubChem (CID 134202190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).