3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide

C19H26BrNO2 — CID 17351627

IUPAC3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)NCCC2=CCCCC2)cc1Br
InChIInChI=1S/C19H26BrNO2/c1-14(2)13-23-18-9-8-16(12-17(18)20)19(22)21-11-10-15-6-4-3-5-7-15/h6,8-9,12,14H,3-5,7,10-11,13H2,1-2H3,(H,21,22)
InChIKeyOMQMUUCSQZUQFV-UHFFFAOYSA-N
MW380.33 g/mol
LogP5.10
Rot. Bonds7

About 3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide

3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide (PubChem CID 17351627) has the molecular formula C19H26BrNO2 and a molecular weight of 380.33 g/mol. Its IUPAC name is 3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide
PubChem CID17351627
Molecular FormulaC19H26BrNO2
Molecular Weight380.33 g/mol
Exact Mass379.11
IUPAC Name3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)NCCC2=CCCCC2)cc1Br
InChIInChI=1S/C19H26BrNO2/c1-14(2)13-23-18-9-8-16(12-17(18)20)19(22)21-11-10-15-6-4-3-5-7-15/h6,8-9,12,14H,3-5,7,10-11,13H2,1-2H3,(H,21,22)
InChIKeyOMQMUUCSQZUQFV-UHFFFAOYSA-N
XLogP5.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.33
LogP ≤ 55.10
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

N-[2-(cyclohexen-1-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 18108470
2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 1314158
3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
CID 17351708
3-bromo-N-methyl-4-(2-methylpropoxy)benzamide
CID 17351710
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide
CID 61118160
4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 30500581
5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide
CID 17352908
4-amino-3-(cyanomethoxy)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 82069934
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 8011368
N-[2-(cyclohexen-1-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247071
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109166621
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide (CID 17351627) is 3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)NCCC2=CCCCC2)cc1Br.
What is the InChIKey of 3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide?
The InChIKey is OMQMUUCSQZUQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrNO2/c1-14(2)13-23-18-9-8-16(12-17(18)20)19(22)21-11-10-15-6-4-3-5-7-15/h6,8-9,12,14H,3-5,7,10-11,13H2,1-2H3,(H,21,22).
What are the key properties of 3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide?
3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide has a molecular weight of 380.33 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17351627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).