N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide

C21H30N2O2 — CID 110839487

IUPACN-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C21H30N2O2/c24-20(22-17-15-18-10-4-1-5-11-18)14-8-3-9-16-23-21(25)19-12-6-2-7-13-19/h2,6-7,10,12-13H,1,3-5,8-9,11,14-17H2,(H,22,24)(H,23,25)
InChIKeyGYEXXFRGOJFGPJ-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.98
Rot. Bonds10

About N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide

N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide (PubChem CID 110839487) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide
PubChem CID110839487
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C21H30N2O2/c24-20(22-17-15-18-10-4-1-5-11-18)14-8-3-9-16-23-21(25)19-12-6-2-7-13-19/h2,6-7,10,12-13H,1,3-5,8-9,11,14-17H2,(H,22,24)(H,23,25)
InChIKeyGYEXXFRGOJFGPJ-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.98
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'}

Analyze N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide 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

N-[3-[[N-[2-(cyclohexen-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]benzamide
CID 111208755
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
CID 3289082
N-[2-[[N-[2-(cyclohexen-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111208397
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806
6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid
CID 63565537
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide
CID 909201
N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
CID 109014685
N-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-4-nitrobenzamide
CID 24980436
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052414
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide
CID 113053040

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide?
The IUPAC name of N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide (CID 110839487) is N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide is O=C(CCCCCNC(=O)c1ccccc1)NCCC1=CCCCC1.
What is the InChIKey of N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide?
The InChIKey is GYEXXFRGOJFGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20(22-17-15-18-10-4-1-5-11-18)14-8-3-9-16-23-21(25)19-12-6-2-7-13-19/h2,6-7,10,12-13H,1,3-5,8-9,11,14-17H2,(H,22,24)(H,23,25).
What are the key properties of N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide?
N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide has a molecular weight of 342.48 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide is sourced from PubChem (CID 110839487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).