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

C11H20BrNO — CID 107905148

IUPAC2-bromo-N-(1-cyclohexylethyl)propanamide
SMILESCC(Br)C(=O)NC(C)C1CCCCC1
InChIInChI=1S/C11H20BrNO/c1-8(12)11(14)13-9(2)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyHIAOAQLINVMGBQ-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.85
Rot. Bonds3

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

2-bromo-N-(1-cyclohexylethyl)propanamide (PubChem CID 107905148) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-bromo-N-(1-cyclohexylethyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyclohexylethyl)propanamide
PubChem CID107905148
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC Name2-bromo-N-(1-cyclohexylethyl)propanamide
SMILESCC(Br)C(=O)NC(C)C1CCCCC1
InChIInChI=1S/C11H20BrNO/c1-8(12)11(14)13-9(2)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyHIAOAQLINVMGBQ-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.85
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

(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
2-bromo-N-(1-cyclohexylpropyl)propanamide
CID 107905149
N-[(1S)-1-cyclohexylethyl]-2-methyl-3-(methylamino)propanamide
CID 81385876
(2R)-2-amino-N-[(1S)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390017
(2R)-2-amino-N-[(1R)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390053
N-[(1S)-1-cyclopentylethyl]acetamide
CID 81388909
2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide
CID 103930317
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
3-amino-N-[(1R)-1-cyclopentylethyl]-2-methylpropanamide
CID 81390273
N-(1-cyclopentylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119782455

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyclohexylethyl)propanamide?
The IUPAC name of 2-bromo-N-(1-cyclohexylethyl)propanamide (CID 107905148) is 2-bromo-N-(1-cyclohexylethyl)propanamide.
What is the SMILES notation for 2-bromo-N-(1-cyclohexylethyl)propanamide?
The canonical SMILES for 2-bromo-N-(1-cyclohexylethyl)propanamide is CC(Br)C(=O)NC(C)C1CCCCC1.
What is the InChIKey of 2-bromo-N-(1-cyclohexylethyl)propanamide?
The InChIKey is HIAOAQLINVMGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-8(12)11(14)13-9(2)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-(1-cyclohexylethyl)propanamide?
2-bromo-N-(1-cyclohexylethyl)propanamide has a molecular weight of 262.19 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyclohexylethyl)propanamide is sourced from PubChem (CID 107905148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).