N-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide

C17H23BrN2O — CID 109014952

IUPACN-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
SMILESO=C(CCNCCC1=CCCCC1)Nc1ccccc1Br
InChIInChI=1S/C17H23BrN2O/c18-15-8-4-5-9-16(15)20-17(21)11-13-19-12-10-14-6-2-1-3-7-14/h4-6,8-9,19H,1-3,7,10-13H2,(H,20,21)
InChIKeyOEWJEASJIVSNJV-UHFFFAOYSA-N
MW351.29 g/mol
LogP4.26
Rot. Bonds7

About N-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide

N-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide (PubChem CID 109014952) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
PubChem CID109014952
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC NameN-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
SMILESO=C(CCNCCC1=CCCCC1)Nc1ccccc1Br
InChIInChI=1S/C17H23BrN2O/c18-15-8-4-5-9-16(15)20-17(21)11-13-19-12-10-14-6-2-1-3-7-14/h4-6,8-9,19H,1-3,7,10-13H2,(H,20,21)
InChIKeyOEWJEASJIVSNJV-UHFFFAOYSA-N
XLogP4.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 54816624
3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide
CID 109014890
1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132874
N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 109014814
3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide
CID 109014919
3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109014975
N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
CID 109014685
3-[2-(cyclohexen-1-yl)ethylamino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 109014944
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109014834
N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide
CID 54815757
N-(2-bromophenyl)-3-(cyclohexylamino)propanamide
CID 109014255

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide?
The IUPAC name of N-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide (CID 109014952) is N-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide is O=C(CCNCCC1=CCCCC1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide?
The InChIKey is OEWJEASJIVSNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c18-15-8-4-5-9-16(15)20-17(21)11-13-19-12-10-14-6-2-1-3-7-14/h4-6,8-9,19H,1-3,7,10-13H2,(H,20,21).
What are the key properties of N-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide?
N-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide has a molecular weight of 351.29 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide is sourced from PubChem (CID 109014952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).