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

C23H29N3O2 — CID 51366067

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(-c2ccc(=O)n(CCC(=O)NCCC3=CCCCC3)n2)cc1C
InChIInChI=1S/C23H29N3O2/c1-17-8-9-20(16-18(17)2)21-10-11-23(28)26(25-21)15-13-22(27)24-14-12-19-6-4-3-5-7-19/h6,8-11,16H,3-5,7,12-15H2,1-2H3,(H,24,27)
InChIKeyRZUHXXNYVKSHKR-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.92
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 51366067) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
PubChem CID51366067
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(-c2ccc(=O)n(CCC(=O)NCCC3=CCCCC3)n2)cc1C
InChIInChI=1S/C23H29N3O2/c1-17-8-9-20(16-18(17)2)21-10-11-23(28)26(25-21)15-13-22(27)24-14-12-19-6-4-3-5-7-19/h6,8-11,16H,3-5,7,12-15H2,1-2H3,(H,24,27)
InChIKeyRZUHXXNYVKSHKR-UHFFFAOYSA-N
XLogP3.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide (CID 51366067) is N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide is Cc1ccc(-c2ccc(=O)n(CCC(=O)NCCC3=CCCCC3)n2)cc1C.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is RZUHXXNYVKSHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-8-9-20(16-18(17)2)21-10-11-23(28)26(25-21)15-13-22(27)24-14-12-19-6-4-3-5-7-19/h6,8-11,16H,3-5,7,12-15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 379.50 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 51366067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).