2-bromo-N-methyl-N-(2-methylpropyl)propanamide

C8H16BrNO — CID 107903182

IUPAC2-bromo-N-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(C)C(=O)C(C)Br
InChIInChI=1S/C8H16BrNO/c1-6(2)5-10(4)8(11)7(3)9/h6-7H,5H2,1-4H3
InChIKeyIPZHQDMUVBHEDF-UHFFFAOYSA-N
MW222.13 g/mol
LogP1.88
Rot. Bonds3

About 2-bromo-N-methyl-N-(2-methylpropyl)propanamide

2-bromo-N-methyl-N-(2-methylpropyl)propanamide (PubChem CID 107903182) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(2-methylpropyl)propanamide
PubChem CID107903182
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC Name2-bromo-N-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(C)C(=O)C(C)Br
InChIInChI=1S/C8H16BrNO/c1-6(2)5-10(4)8(11)7(3)9/h6-7H,5H2,1-4H3
InChIKeyIPZHQDMUVBHEDF-UHFFFAOYSA-N
XLogP1.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 51.88
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-amino-N,3-dimethyl-N-(2-methylpropyl)butanamide
CID 43272154
3-amino-2-hydroxy-N-methyl-N-(2-methylpropyl)propanamide
CID 115180349
2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide
CID 107904481
4-amino-N,2-dimethyl-N-(2-methylpropyl)butanamide
CID 80542110
3-amino-4-[methyl(2-methylpropyl)amino]-4-oxobutanoic acid
CID 64895078
N-methyl-N-(2-methylpropyl)-2-oxopropanamide
CID 115175418
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide
CID 76925488
N-methyl-N-(2-methylpropyl)-2-oxoacetamide
CID 115165999
[(2S,3S)-3-hydroxy-4-[methyl(2-methylpropyl)amino]-4-oxobutan-2-yl]carbamic acid
CID 90043769
N,2-dimethyl-N-(2-methylpropyl)propanamide;N,3-dimethyl-N-propan-2-ylbutanamide
CID 165001627
N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
N-(2-bromopropyl)-N-methylpropanamide
CID 80665081

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-bromo-N-methyl-N-(2-methylpropyl)propanamide (CID 107903182) is 2-bromo-N-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-bromo-N-methyl-N-(2-methylpropyl)propanamide is CC(C)CN(C)C(=O)C(C)Br.
What is the InChIKey of 2-bromo-N-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is IPZHQDMUVBHEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO/c1-6(2)5-10(4)8(11)7(3)9/h6-7H,5H2,1-4H3.
What are the key properties of 2-bromo-N-methyl-N-(2-methylpropyl)propanamide?
2-bromo-N-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 222.13 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 107903182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).