2-bromo-N-tert-butyl-N-methylpropanamide

C8H16BrNO — CID 15829371

IUPAC2-bromo-N-tert-butyl-N-methylpropanamide
SMILESCC(Br)C(=O)N(C)C(C)(C)C
InChIInChI=1S/C8H16BrNO/c1-6(9)7(11)10(5)8(2,3)4/h6H,1-5H3
InChIKeyHVDNYOLLQPGCEJ-UHFFFAOYSA-N
MW222.13 g/mol
LogP2.03
Rot. Bonds1

About 2-bromo-N-tert-butyl-N-methylpropanamide

2-bromo-N-tert-butyl-N-methylpropanamide (PubChem CID 15829371) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is 2-bromo-N-tert-butyl-N-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-tert-butyl-N-methylpropanamide
PubChem CID15829371
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC Name2-bromo-N-tert-butyl-N-methylpropanamide
SMILESCC(Br)C(=O)N(C)C(C)(C)C
InChIInChI=1S/C8H16BrNO/c1-6(9)7(11)10(5)8(2,3)4/h6H,1-5H3
InChIKeyHVDNYOLLQPGCEJ-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 52.03
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

2-bromo-N-tert-butyl-N,2-dimethylpropanamide
CID 54477333
3-amino-N-tert-butyl-2-hydroxy-N-methylpropanamide
CID 115180350
2-bromo-N-methyl-N-(2-methylpropyl)propanamide
CID 107903182
N-tert-butyl-2,4-dihydroxy-N-methylpent-4-enamide
CID 170203410
N-tert-butyl-N-methyl-2-(methylaminomethyl)butanamide
CID 115188782
2-[tert-butyl(methyl)amino]-2-oxoacetic acid
CID 58147597
N-tert-butyl-N,2-dimethylpropanamide;N,2-dimethyl-N-propan-2-ylpropanamide;N-ethyl-N,2-dimethylpropanamide;N,N,2-trimethylpropanamide
CID 167540884
2-bromo-N-cyclohexyl-N-methylpropanamide
CID 82110244
2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide
CID 63964443
2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide
CID 107904481
(2S)-2-bromopropanoic acid
CID 642232
(2R,4S)-2,4-dibromopentan-3-one
CID 7567036

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-tert-butyl-N-methylpropanamide?
The IUPAC name of 2-bromo-N-tert-butyl-N-methylpropanamide (CID 15829371) is 2-bromo-N-tert-butyl-N-methylpropanamide.
What is the SMILES notation for 2-bromo-N-tert-butyl-N-methylpropanamide?
The canonical SMILES for 2-bromo-N-tert-butyl-N-methylpropanamide is CC(Br)C(=O)N(C)C(C)(C)C.
What is the InChIKey of 2-bromo-N-tert-butyl-N-methylpropanamide?
The InChIKey is HVDNYOLLQPGCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO/c1-6(9)7(11)10(5)8(2,3)4/h6H,1-5H3.
What are the key properties of 2-bromo-N-tert-butyl-N-methylpropanamide?
2-bromo-N-tert-butyl-N-methylpropanamide has a molecular weight of 222.13 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-tert-butyl-N-methylpropanamide is sourced from PubChem (CID 15829371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).