2-bromo-N-(1-cyclohexylpropyl)propanamide

C12H22BrNO — CID 107905149

IUPAC2-bromo-N-(1-cyclohexylpropyl)propanamide
SMILESCCC(NC(=O)C(C)Br)C1CCCCC1
InChIInChI=1S/C12H22BrNO/c1-3-11(14-12(15)9(2)13)10-7-5-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyLSIWTGUQCNQXEL-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.24
Rot. Bonds4

About 2-bromo-N-(1-cyclohexylpropyl)propanamide

2-bromo-N-(1-cyclohexylpropyl)propanamide (PubChem CID 107905149) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is 2-bromo-N-(1-cyclohexylpropyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyclohexylpropyl)propanamide
PubChem CID107905149
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC Name2-bromo-N-(1-cyclohexylpropyl)propanamide
SMILESCCC(NC(=O)C(C)Br)C1CCCCC1
InChIInChI=1S/C12H22BrNO/c1-3-11(14-12(15)9(2)13)10-7-5-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyLSIWTGUQCNQXEL-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.24
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-bromo-N-(1-cyclohexylethyl)propanamide
CID 107905148
N-(1-cyclohexylpropyl)acetamide
CID 45119320
2-(aminomethyl)-N-(1-cyclohexylpropyl)-3-methylbutanamide
CID 62406666
2-chloro-N-(1-cyclohexylpropyl)acetamide
CID 62407197
N-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76943287
2-(1-cyclohexylpropylamino)propan-1-ol
CID 115724810
N-(1-cyclohexylpropyl)-2-(ethylamino)-2-methylpropanamide
CID 62834265
(2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide
CID 62406341
N-(1-cyclobutylpropyl)acetamide
CID 127002620
2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid
CID 62406363
1-(1-cyclopropylpropyl)-3-propan-2-ylurea
CID 68521863
N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80596824

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyclohexylpropyl)propanamide?
The IUPAC name of 2-bromo-N-(1-cyclohexylpropyl)propanamide (CID 107905149) is 2-bromo-N-(1-cyclohexylpropyl)propanamide.
What is the SMILES notation for 2-bromo-N-(1-cyclohexylpropyl)propanamide?
The canonical SMILES for 2-bromo-N-(1-cyclohexylpropyl)propanamide is CCC(NC(=O)C(C)Br)C1CCCCC1.
What is the InChIKey of 2-bromo-N-(1-cyclohexylpropyl)propanamide?
The InChIKey is LSIWTGUQCNQXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-3-11(14-12(15)9(2)13)10-7-5-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-(1-cyclohexylpropyl)propanamide?
2-bromo-N-(1-cyclohexylpropyl)propanamide has a molecular weight of 276.22 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyclohexylpropyl)propanamide is sourced from PubChem (CID 107905149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).