N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide

C10H20BrNO — CID 114313422

IUPACN-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCC(C)CBr
InChIInChI=1S/C10H20BrNO/c1-5-10(3,4)9(13)12-7-8(2)6-11/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyCOXITQYPXMCQKK-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.57
Rot. Bonds5

About N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide

N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide (PubChem CID 114313422) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide
PubChem CID114313422
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC NameN-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCC(C)CBr
InChIInChI=1S/C10H20BrNO/c1-5-10(3,4)9(13)12-7-8(2)6-11/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyCOXITQYPXMCQKK-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733
N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide
CID 106157342
N-[(2R)-2-(ethylamino)propyl]-2,2-dimethylbutanamide
CID 120653493
tert-butyl N-[(2R)-3-bromo-2-methylpropyl]carbamate
CID 86601426
N-(2-aminobutyl)-2,2-dimethylbutanamide
CID 63731375
N-(3-bromobutyl)-2,2-dimethylbutanamide
CID 114312578
N-(3-bromo-2-methylpropyl)-3,3,3-trifluoropropanamide
CID 114313479
N-(aminomethyl)-2,2-dimethylbutanamide
CID 20688200
N-(2,2-dimethylpropyl)-2,2-dimethylbutanamide
CID 54381373
3-chloro-N-(4-hydroxy-2-methylbutyl)-2,2-dimethylpropanamide
CID 66092248
2,2-dimethyl-N-(3-methylbutan-2-yl)butanamide
CID 123229484
N-(3-aminobutyl)-2,2-dimethylbutanamide
CID 63253929

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide (CID 114313422) is N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCC(C)CBr.
What is the InChIKey of N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide?
The InChIKey is COXITQYPXMCQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-5-10(3,4)9(13)12-7-8(2)6-11/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide?
N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide has a molecular weight of 250.18 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 114313422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).