3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide

C19H27FN2O — CID 109014834

IUPAC3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESO=C(CCNCCC1=CCCCC1)NCCc1ccc(F)cc1
InChIInChI=1S/C19H27FN2O/c20-18-8-6-17(7-9-18)11-15-22-19(23)12-14-21-13-10-16-4-2-1-3-5-16/h4,6-9,21H,1-3,5,10-15H2,(H,22,23)
InChIKeyNLQRISSWQPVMJA-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.35
Rot. Bonds9

About 3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide

3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 109014834) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID109014834
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Name3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESO=C(CCNCCC1=CCCCC1)NCCc1ccc(F)cc1
InChIInChI=1S/C19H27FN2O/c20-18-8-6-17(7-9-18)11-15-22-19(23)12-14-21-13-10-16-4-2-1-3-5-16/h4,6-9,21H,1-3,5,10-15H2,(H,22,23)
InChIKeyNLQRISSWQPVMJA-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.35
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 3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide 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-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
CID 109014685
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108959319
N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 109014814
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830
N-[2-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024783
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
CID 106173068
N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide
CID 109014635
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 15997244
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 109014834) is 3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide is O=C(CCNCCC1=CCCCC1)NCCc1ccc(F)cc1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is NLQRISSWQPVMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O/c20-18-8-6-17(7-9-18)11-15-22-19(23)12-14-21-13-10-16-4-2-1-3-5-16/h4,6-9,21H,1-3,5,10-15H2,(H,22,23).
What are the key properties of 3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide?
3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 318.44 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 109014834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).