N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide

C19H27NO3 — CID 17112611

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccc(C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H27NO3/c1-2-22-14-15-23-18-10-8-17(9-11-18)19(21)20-13-12-16-6-4-3-5-7-16/h6,8-11H,2-5,7,12-15H2,1H3,(H,20,21)
InChIKeyXQYFNPHCXPONPA-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.72
Rot. Bonds9

About N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide

N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide (PubChem CID 17112611) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide
PubChem CID17112611
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccc(C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H27NO3/c1-2-22-14-15-23-18-10-8-17(9-11-18)19(21)20-13-12-16-6-4-3-5-7-16/h6,8-11H,2-5,7,12-15H2,1H3,(H,20,21)
InChIKeyXQYFNPHCXPONPA-UHFFFAOYSA-N
XLogP3.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[2-(cyclohexen-1-yl)ethyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 99951861
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea
CID 86998860
N-[1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55329551
4-(2-ethoxyethoxy)-N-(2-phenylethyl)benzamide
CID 17112545
N-[2-(cyclohexen-1-yl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 25163593
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-4-(3-methylbutoxy)benzamide
CID 4949065
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide
CID 61118160
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 38105049
4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045058

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide (CID 17112611) is N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide is CCOCCOc1ccc(C(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide?
The InChIKey is XQYFNPHCXPONPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-2-22-14-15-23-18-10-8-17(9-11-18)19(21)20-13-12-16-6-4-3-5-7-16/h6,8-11H,2-5,7,12-15H2,1H3,(H,20,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide has a molecular weight of 317.43 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(2-ethoxyethoxy)benzamide is sourced from PubChem (CID 17112611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).