N-(2-bromoprop-2-enyl)-4-cyclohexylbutanamide

C13H22BrNO — CID 52768180

IUPACN-(2-bromoprop-2-enyl)-4-cyclohexylbutanamide
SMILESC=C(Br)CNC(=O)CCCC1CCCCC1
InChIInChI=1S/C13H22BrNO/c1-11(14)10-15-13(16)9-5-8-12-6-3-2-4-7-12/h12H,1-10H2,(H,15,16)
InChIKeyWZKCXEARYQFPRZ-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.76
Rot. Bonds6

About N-(2-bromoprop-2-enyl)-4-cyclohexylbutanamide

N-(2-bromoprop-2-enyl)-4-cyclohexylbutanamide (PubChem CID 52768180) has the molecular formula C13H22BrNO and a molecular weight of 288.23 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-4-cyclohexylbutanamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-4-cyclohexylbutanamide
PubChem CID52768180
Molecular FormulaC13H22BrNO
Molecular Weight288.23 g/mol
Exact Mass287.09
IUPAC NameN-(2-bromoprop-2-enyl)-4-cyclohexylbutanamide
SMILESC=C(Br)CNC(=O)CCCC1CCCCC1
InChIInChI=1S/C13H22BrNO/c1-11(14)10-15-13(16)9-5-8-12-6-3-2-4-7-12/h12H,1-10H2,(H,15,16)
InChIKeyWZKCXEARYQFPRZ-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-4-cyclohexylbutanamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-4-cyclohexylbutanamide (CID 52768180) is N-(2-bromoprop-2-enyl)-4-cyclohexylbutanamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-4-cyclohexylbutanamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-4-cyclohexylbutanamide is C=C(Br)CNC(=O)CCCC1CCCCC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-4-cyclohexylbutanamide?
The InChIKey is WZKCXEARYQFPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO/c1-11(14)10-15-13(16)9-5-8-12-6-3-2-4-7-12/h12H,1-10H2,(H,15,16).
What are the key properties of N-(2-bromoprop-2-enyl)-4-cyclohexylbutanamide?
N-(2-bromoprop-2-enyl)-4-cyclohexylbutanamide has a molecular weight of 288.23 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-4-cyclohexylbutanamide is sourced from PubChem (CID 52768180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).