3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide

C17H24N2O2 — CID 61118160

IUPAC3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCCC2=CCCCC2)cc1N
InChIInChI=1S/C17H24N2O2/c1-2-21-16-9-8-14(12-15(16)18)17(20)19-11-10-13-6-4-3-5-7-13/h6,8-9,12H,2-5,7,10-11,18H2,1H3,(H,19,20)
InChIKeyORIHCXWKCDOFIR-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.29
Rot. Bonds6

About 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide

3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide (PubChem CID 61118160) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide
PubChem CID61118160
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCCC2=CCCCC2)cc1N
InChIInChI=1S/C17H24N2O2/c1-2-21-16-9-8-14(12-15(16)18)17(20)19-11-10-13-6-4-3-5-7-13/h6,8-9,12H,2-5,7,10-11,18H2,1H3,(H,19,20)
InChIKeyORIHCXWKCDOFIR-UHFFFAOYSA-N
XLogP3.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(cyanomethoxy)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 82069934
5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxybenzamide
CID 17352908
3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 82070377
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
N-[2-(cyclohexen-1-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 18108470
N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 100542456
3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide
CID 17351627
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide
CID 17112611
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109152831
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109251112

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide?
The IUPAC name of 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide (CID 61118160) is 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide?
The canonical SMILES for 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1N.
What is the InChIKey of 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide?
The InChIKey is ORIHCXWKCDOFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-21-16-9-8-14(12-15(16)18)17(20)19-11-10-13-6-4-3-5-7-13/h6,8-9,12H,2-5,7,10-11,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide?
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide has a molecular weight of 288.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide is sourced from PubChem (CID 61118160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).