N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide

C17H23NO2 — CID 100542456

IUPACN-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NCC2=CCCCC2)cc1C
InChIInChI=1S/C17H23NO2/c1-3-20-16-10-9-15(11-13(16)2)17(19)18-12-14-7-5-4-6-8-14/h7,9-11H,3-6,8,12H2,1-2H3,(H,18,19)
InChIKeyGEWHCRYPYJMENU-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.62
Rot. Bonds5

About N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide

N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide (PubChem CID 100542456) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide
PubChem CID100542456
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NCC2=CCCCC2)cc1C
InChIInChI=1S/C17H23NO2/c1-3-20-16-10-9-15(11-13(16)2)17(19)18-12-14-7-5-4-6-8-14/h7,9-11H,3-6,8,12H2,1-2H3,(H,18,19)
InChIKeyGEWHCRYPYJMENU-UHFFFAOYSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide
CID 61118160
4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 100576325
4-ethoxy-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248719
N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide
CID 110762173
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide
CID 86938100
N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 37478389
4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide
CID 133160362
N-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100542510
N-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide
CID 100560116
4-ethoxy-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-methylbenzamide
CID 86939098
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide
CID 110781923
4-ethoxy-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190984

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide (CID 100542456) is N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide is CCOc1ccc(C(=O)NCC2=CCCCC2)cc1C.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide?
The InChIKey is GEWHCRYPYJMENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-20-16-10-9-15(11-13(16)2)17(19)18-12-14-7-5-4-6-8-14/h7,9-11H,3-6,8,12H2,1-2H3,(H,18,19).
What are the key properties of N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide?
N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide has a molecular weight of 273.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide is sourced from PubChem (CID 100542456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).