2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

C17H22BrNO2 — CID 112777989

IUPAC2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(Oc1ccccc1Br)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H22BrNO2/c1-13(21-16-10-6-5-9-15(16)18)17(20)19-12-11-14-7-3-2-4-8-14/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,19,20)
InChIKeyJRBQAZRSOJCRRD-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.22
Rot. Bonds6

About 2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 112777989) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
PubChem CID112777989
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC Name2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(Oc1ccccc1Br)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H22BrNO2/c1-13(21-16-10-6-5-9-15(16)18)17(20)19-12-11-14-7-3-2-4-8-14/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,19,20)
InChIKeyJRBQAZRSOJCRRD-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7382518
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide
CID 4951754
(2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7653002
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 925253
[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 18078141
(2R)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7568813
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92684033
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388806
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477025
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
(2R)-2-(4-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7503312

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 112777989) is 2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is CC(Oc1ccccc1Br)C(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The InChIKey is JRBQAZRSOJCRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-13(21-16-10-6-5-9-15(16)18)17(20)19-12-11-14-7-3-2-4-8-14/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,19,20).
What are the key properties of 2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide has a molecular weight of 352.27 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 112777989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).