2-bromo-N-carbamoyl-2-ethylbutanamide;dodec-1-ene

C19H37BrN2O2 — CID 87742387

IUPAC2-bromo-N-carbamoyl-2-ethylbutanamide;dodec-1-ene
SMILESC=CCCCCCCCCCC.CCC(Br)(CC)C(=O)NC(N)=O
InChIInChI=1S/C12H24.C7H13BrN2O2/c1-3-5-7-9-11-12-10-8-6-4-2;1-3-7(8,4-2)5(11)10-6(9)12/h3H,1,4-12H2,2H3;3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyQBVBCBLHEKWHGF-UHFFFAOYSA-N
MW405.42 g/mol
LogP5.84
Rot. Bonds12

About 2-bromo-N-carbamoyl-2-ethylbutanamide;dodec-1-ene

2-bromo-N-carbamoyl-2-ethylbutanamide;dodec-1-ene (PubChem CID 87742387) has the molecular formula C19H37BrN2O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is 2-bromo-N-carbamoyl-2-ethylbutanamide;dodec-1-ene.

Molecular Properties

Compound Name2-bromo-N-carbamoyl-2-ethylbutanamide;dodec-1-ene
PubChem CID87742387
Molecular FormulaC19H37BrN2O2
Molecular Weight405.42 g/mol
Exact Mass404.20
IUPAC Name2-bromo-N-carbamoyl-2-ethylbutanamide;dodec-1-ene
SMILESC=CCCCCCCCCCC.CCC(Br)(CC)C(=O)NC(N)=O
InChIInChI=1S/C12H24.C7H13BrN2O2/c1-3-5-7-9-11-12-10-8-6-4-2;1-3-7(8,4-2)5(11)10-6(9)12/h3H,1,4-12H2,2H3;3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyQBVBCBLHEKWHGF-UHFFFAOYSA-N
XLogP5.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.42
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-carbamoyl-2-ethylbutanamide;dodecane
CID 87094046
2-bromo-N-carbamoyl-2-ethylbutanamide;undecane
CID 87107617
2-bromo-N-carbamoyl-2-ethylbutanamide;hexadecane
CID 87107983
2-bromo-N-carbamoyl-2-ethylbutanamide;icosane
CID 87185800
2-bromo-N-carbamoyl-2-ethylbutanamide;buta-1,3-diene;dodecane
CID 87212148
2-bromo-N-carbamoyl-2-ethylbutanamide;nonane
CID 87321658
2-bromo-N-carbamoyl-2-ethylbutanamide;decane
CID 87352575
2-bromo-N-carbamoyl-2-ethylbutanamide;pent-1-ene
CID 87352623
2-bromo-N-carbamoyl-2-ethylbutanamide;(E)-hex-2-ene
CID 87557706
2-bromo-N-carbamoyl-2-ethylbutanamide;(E)-octadec-9-ene
CID 87587318
2-bromo-N-carbamoyl-2-ethylbutanamide;oct-1-ene
CID 87655270
2-bromo-N-carbamoyl-2-ethylbutanamide;non-1-ene
CID 87740956

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-carbamoyl-2-ethylbutanamide;dodec-1-ene?
The IUPAC name of 2-bromo-N-carbamoyl-2-ethylbutanamide;dodec-1-ene (CID 87742387) is 2-bromo-N-carbamoyl-2-ethylbutanamide;dodec-1-ene.
What is the SMILES notation for 2-bromo-N-carbamoyl-2-ethylbutanamide;dodec-1-ene?
The canonical SMILES for 2-bromo-N-carbamoyl-2-ethylbutanamide;dodec-1-ene is C=CCCCCCCCCCC.CCC(Br)(CC)C(=O)NC(N)=O.
What is the InChIKey of 2-bromo-N-carbamoyl-2-ethylbutanamide;dodec-1-ene?
The InChIKey is QBVBCBLHEKWHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.C7H13BrN2O2/c1-3-5-7-9-11-12-10-8-6-4-2;1-3-7(8,4-2)5(11)10-6(9)12/h3H,1,4-12H2,2H3;3-4H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 2-bromo-N-carbamoyl-2-ethylbutanamide;dodec-1-ene?
2-bromo-N-carbamoyl-2-ethylbutanamide;dodec-1-ene has a molecular weight of 405.42 g/mol, XLogP of 5.84, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-carbamoyl-2-ethylbutanamide;dodec-1-ene is sourced from PubChem (CID 87742387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).