azetidine;2-bromo-N-carbamoyl-2-ethylbutanamide

C10H20BrN3O2 — CID 134249157

IUPACazetidine;2-bromo-N-carbamoyl-2-ethylbutanamide
SMILESC1CNC1.CCC(Br)(CC)C(=O)NC(N)=O
InChIInChI=1S/C7H13BrN2O2.C3H7N/c1-3-7(8,4-2)5(11)10-6(9)12;1-2-4-3-1/h3-4H2,1-2H3,(H3,9,10,11,12);4H,1-3H2
InChIKeyDDEIGWQXDLMPTG-UHFFFAOYSA-N
MW294.19 g/mol
LogP1.11
Rot. Bonds3

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

azetidine;2-bromo-N-carbamoyl-2-ethylbutanamide (PubChem CID 134249157) has the molecular formula C10H20BrN3O2 and a molecular weight of 294.19 g/mol. Its IUPAC name is azetidine;2-bromo-N-carbamoyl-2-ethylbutanamide.

Molecular Properties

Compound Nameazetidine;2-bromo-N-carbamoyl-2-ethylbutanamide
PubChem CID134249157
Molecular FormulaC10H20BrN3O2
Molecular Weight294.19 g/mol
Exact Mass293.07
IUPAC Nameazetidine;2-bromo-N-carbamoyl-2-ethylbutanamide
SMILESC1CNC1.CCC(Br)(CC)C(=O)NC(N)=O
InChIInChI=1S/C7H13BrN2O2.C3H7N/c1-3-7(8,4-2)5(11)10-6(9)12;1-2-4-3-1/h3-4H2,1-2H3,(H3,9,10,11,12);4H,1-3H2
InChIKeyDDEIGWQXDLMPTG-UHFFFAOYSA-N
XLogP1.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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
azane;2-bromo-N-carbamoyl-2-ethylbutanamide
CID 173440732
2-bromo-N-carbamoyl-2-ethylbutanamide;phosphono dihydrogen phosphate;piperazine
CID 87707474
bicyclo[2.2.1]heptane;2-bromo-N-carbamoyl-2-ethylbutanamide
CID 67292805
2-bromo-N-carbamoyl-2-ethylbutanamide;iron(3+);phosphate
CID 88764343
2-bromo-N-carbamoyl-2-ethylbutanamide;hexanedioic acid;hydrochloride
CID 87252337
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
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 azetidine;2-bromo-N-carbamoyl-2-ethylbutanamide?
The IUPAC name of azetidine;2-bromo-N-carbamoyl-2-ethylbutanamide (CID 134249157) is azetidine;2-bromo-N-carbamoyl-2-ethylbutanamide.
What is the SMILES notation for azetidine;2-bromo-N-carbamoyl-2-ethylbutanamide?
The canonical SMILES for azetidine;2-bromo-N-carbamoyl-2-ethylbutanamide is C1CNC1.CCC(Br)(CC)C(=O)NC(N)=O.
What is the InChIKey of azetidine;2-bromo-N-carbamoyl-2-ethylbutanamide?
The InChIKey is DDEIGWQXDLMPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrN2O2.C3H7N/c1-3-7(8,4-2)5(11)10-6(9)12;1-2-4-3-1/h3-4H2,1-2H3,(H3,9,10,11,12);4H,1-3H2.
What are the key properties of azetidine;2-bromo-N-carbamoyl-2-ethylbutanamide?
azetidine;2-bromo-N-carbamoyl-2-ethylbutanamide has a molecular weight of 294.19 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;2-bromo-N-carbamoyl-2-ethylbutanamide is sourced from PubChem (CID 134249157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).