azane;2-bromo-N-carbamoyl-2-ethylbutanamide

C7H25BrN6O2 — CID 173440732

IUPACazane;2-bromo-N-carbamoyl-2-ethylbutanamide
SMILESCCC(Br)(CC)C(=O)NC(N)=O.N.N.N.N
InChIInChI=1S/C7H13BrN2O2.4H3N/c1-3-7(8,4-2)5(11)10-6(9)12;;;;/h3-4H2,1-2H3,(H3,9,10,11,12);4*1H3
InChIKeyMABFQKUXUYGJLM-UHFFFAOYSA-N
MW305.22 g/mol
LogP1.78
Rot. Bonds3

About azane;2-bromo-N-carbamoyl-2-ethylbutanamide

azane;2-bromo-N-carbamoyl-2-ethylbutanamide (PubChem CID 173440732) has the molecular formula C7H25BrN6O2 and a molecular weight of 305.22 g/mol. Its IUPAC name is azane;2-bromo-N-carbamoyl-2-ethylbutanamide.

Molecular Properties

Compound Nameazane;2-bromo-N-carbamoyl-2-ethylbutanamide
PubChem CID173440732
Molecular FormulaC7H25BrN6O2
Molecular Weight305.22 g/mol
Exact Mass304.12
IUPAC Nameazane;2-bromo-N-carbamoyl-2-ethylbutanamide
SMILESCCC(Br)(CC)C(=O)NC(N)=O.N.N.N.N
InChIInChI=1S/C7H13BrN2O2.4H3N/c1-3-7(8,4-2)5(11)10-6(9)12;;;;/h3-4H2,1-2H3,(H3,9,10,11,12);4*1H3
InChIKeyMABFQKUXUYGJLM-UHFFFAOYSA-N
XLogP1.78
TPSA212.19 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.22
LogP ≤ 51.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-carbamoyl-2-ethylbutanamide;ethane
CID 87656093
azetidine;2-bromo-N-carbamoyl-2-ethylbutanamide
CID 134249157
2-bromo-N-carbamoyl-2-ethylbutanamide;iron(3+);phosphate
CID 88764343
2-bromo-N-carbamoyl-2-ethylbutanamide;hexanedioic acid;hydrochloride
CID 87252337
bicyclo[2.2.1]heptane;2-bromo-N-carbamoyl-2-ethylbutanamide
CID 67292805
2-bromo-N-carbamoyl-2-ethylbutanamide;(4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaene
CID 87902355
2-bromo-N-carbamoyl-2-ethylbutanamide;pentyl dihydrogen phosphate
CID 88736251
2-bromo-N-carbamoyl-2-ethylbutanamide;phosphono dihydrogen phosphate;piperazine
CID 87707474
N-(2-bromo-2-ethylbutanoyl)carbamoyl chloride
CID 151424011
2-bromo-N-carbamoyl-2-ethylbutanamide;N,N-dimethyl-2,2-diphenylacetamide
CID 66811490
2-bromo-N-carbamoyl-2-ethylbutanamide;butane;3-(2,3-dicarboxyphenyl)phthalic acid;hydrochloride
CID 67783069
N-carbamoyl-2-ethyl-2-methoxybutanamide
CID 23273727

Frequently Asked Questions

What is the IUPAC name of azane;2-bromo-N-carbamoyl-2-ethylbutanamide?
The IUPAC name of azane;2-bromo-N-carbamoyl-2-ethylbutanamide (CID 173440732) is azane;2-bromo-N-carbamoyl-2-ethylbutanamide.
What is the SMILES notation for azane;2-bromo-N-carbamoyl-2-ethylbutanamide?
The canonical SMILES for azane;2-bromo-N-carbamoyl-2-ethylbutanamide is CCC(Br)(CC)C(=O)NC(N)=O.N.N.N.N.
What is the InChIKey of azane;2-bromo-N-carbamoyl-2-ethylbutanamide?
The InChIKey is MABFQKUXUYGJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrN2O2.4H3N/c1-3-7(8,4-2)5(11)10-6(9)12;;;;/h3-4H2,1-2H3,(H3,9,10,11,12);4*1H3.
What are the key properties of azane;2-bromo-N-carbamoyl-2-ethylbutanamide?
azane;2-bromo-N-carbamoyl-2-ethylbutanamide has a molecular weight of 305.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-bromo-N-carbamoyl-2-ethylbutanamide is sourced from PubChem (CID 173440732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).