2-bromo-N-carbamoyl-2-ethylbutanamide;nonane

C16H33BrN2O2 — CID 87321658

IUPAC2-bromo-N-carbamoyl-2-ethylbutanamide;nonane
SMILESCCC(Br)(CC)C(=O)NC(N)=O.CCCCCCCCC
InChIInChI=1S/C9H20.C7H13BrN2O2/c1-3-5-7-9-8-6-4-2;1-3-7(8,4-2)5(11)10-6(9)12/h3-9H2,1-2H3;3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyLKLAJCLVLGUZPY-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.89
Rot. Bonds9

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

2-bromo-N-carbamoyl-2-ethylbutanamide;nonane (PubChem CID 87321658) has the molecular formula C16H33BrN2O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-bromo-N-carbamoyl-2-ethylbutanamide;nonane.

Molecular Properties

Compound Name2-bromo-N-carbamoyl-2-ethylbutanamide;nonane
PubChem CID87321658
Molecular FormulaC16H33BrN2O2
Molecular Weight365.36 g/mol
Exact Mass364.17
IUPAC Name2-bromo-N-carbamoyl-2-ethylbutanamide;nonane
SMILESCCC(Br)(CC)C(=O)NC(N)=O.CCCCCCCCC
InChIInChI=1S/C9H20.C7H13BrN2O2/c1-3-5-7-9-8-6-4-2;1-3-7(8,4-2)5(11)10-6(9)12/h3-9H2,1-2H3;3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyLKLAJCLVLGUZPY-UHFFFAOYSA-N
XLogP4.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.89
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-carbamoyl-2-ethylbutanamide;nonane?
The IUPAC name of 2-bromo-N-carbamoyl-2-ethylbutanamide;nonane (CID 87321658) is 2-bromo-N-carbamoyl-2-ethylbutanamide;nonane.
What is the SMILES notation for 2-bromo-N-carbamoyl-2-ethylbutanamide;nonane?
The canonical SMILES for 2-bromo-N-carbamoyl-2-ethylbutanamide;nonane is CCC(Br)(CC)C(=O)NC(N)=O.CCCCCCCCC.
What is the InChIKey of 2-bromo-N-carbamoyl-2-ethylbutanamide;nonane?
The InChIKey is LKLAJCLVLGUZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C7H13BrN2O2/c1-3-5-7-9-8-6-4-2;1-3-7(8,4-2)5(11)10-6(9)12/h3-9H2,1-2H3;3-4H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 2-bromo-N-carbamoyl-2-ethylbutanamide;nonane?
2-bromo-N-carbamoyl-2-ethylbutanamide;nonane has a molecular weight of 365.36 g/mol, XLogP of 4.89, 9 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;nonane is sourced from PubChem (CID 87321658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).