N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide

C23H29N3O3 — CID 51366084

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCC(=O)NCCC3=CCCCC3)n2)cc1
InChIInChI=1S/C23H29N3O3/c1-2-29-20-10-8-19(9-11-20)21-12-13-23(28)26(25-21)17-15-22(27)24-16-14-18-6-4-3-5-7-18/h6,8-13H,2-5,7,14-17H2,1H3,(H,24,27)
InChIKeyMRVIKGCXDNLMDV-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.71
Rot. Bonds9

About N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 51366084) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide
PubChem CID51366084
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCC(=O)NCCC3=CCCCC3)n2)cc1
InChIInChI=1S/C23H29N3O3/c1-2-29-20-10-8-19(9-11-20)21-12-13-23(28)26(25-21)17-15-22(27)24-16-14-18-6-4-3-5-7-18/h6,8-13H,2-5,7,14-17H2,1H3,(H,24,27)
InChIKeyMRVIKGCXDNLMDV-UHFFFAOYSA-N
XLogP3.71
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]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

3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
CID 51366097
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide
CID 109014741
N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885496
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide
CID 16885602
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 16885563
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 121033720
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 41240937
N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050455
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050805
N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 4174347

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide (CID 51366084) is N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide is CCOc1ccc(-c2ccc(=O)n(CCC(=O)NCCC3=CCCCC3)n2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is MRVIKGCXDNLMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-29-20-10-8-19(9-11-20)21-12-13-23(28)26(25-21)17-15-22(27)24-16-14-18-6-4-3-5-7-18/h6,8-13H,2-5,7,14-17H2,1H3,(H,24,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 395.50 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 51366084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).