2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide

C10H20BrNO — CID 63964443

IUPAC2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide
SMILESCCC(Br)C(=O)N(C)C(C)(C)CC
InChIInChI=1S/C10H20BrNO/c1-6-8(11)9(13)12(5)10(3,4)7-2/h8H,6-7H2,1-5H3
InChIKeyMFOUUELZRGZPTJ-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.81
Rot. Bonds4

About 2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide

2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide (PubChem CID 63964443) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide
PubChem CID63964443
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide
SMILESCCC(Br)C(=O)N(C)C(C)(C)CC
InChIInChI=1S/C10H20BrNO/c1-6-8(11)9(13)12(5)10(3,4)7-2/h8H,6-7H2,1-5H3
InChIKeyMFOUUELZRGZPTJ-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.81
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

(2S)-2-bromo-N,N-dimethylbutanamide
CID 92939009
2-cyano-N-methyl-N-(2-methylbutan-2-yl)butanamide
CID 63960627
N-methyl-2-(methylamino)-N-(2-methylbutan-2-yl)propanamide
CID 63966379
4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 64888587
(2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104908509
N-methyl-N-(2-methylbutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 63965933
2,4-dibromo-2-methylhexan-3-one
CID 12696409
2-bromo-N-(2-methoxyethyl)-N-methylbutanamide
CID 62854357
2-bromo-N-(3-methylpentan-3-yl)butanamide
CID 106328360
3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide
CID 63966651
2-bromo-N-(1-cyanopropan-2-yl)-N-methylbutanamide
CID 63224173
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 63981019

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide?
The IUPAC name of 2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide (CID 63964443) is 2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide?
The canonical SMILES for 2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide is CCC(Br)C(=O)N(C)C(C)(C)CC.
What is the InChIKey of 2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide?
The InChIKey is MFOUUELZRGZPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-6-8(11)9(13)12(5)10(3,4)7-2/h8H,6-7H2,1-5H3.
What are the key properties of 2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide?
2-bromo-N-methyl-N-(2-methylbutan-2-yl)butanamide has a molecular weight of 250.18 g/mol, XLogP of 2.81, 4 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-methylbutan-2-yl)butanamide is sourced from PubChem (CID 63964443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).