N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide

C24H29N3O4 — CID 4301640

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide
SMILESCOc1ccc(CCNC(=O)CCN2NC(c3ccc(C)cc3)=CCC2=O)cc1OC
InChIInChI=1S/C24H29N3O4/c1-17-4-7-19(8-5-17)20-9-11-24(29)27(26-20)15-13-23(28)25-14-12-18-6-10-21(30-2)22(16-18)31-3/h4-10,16,26H,11-15H2,1-3H3,(H,25,28)
InChIKeyRHOLPLUZVSNTPX-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.84
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide (PubChem CID 4301640) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide
PubChem CID4301640
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide
SMILESCOc1ccc(CCNC(=O)CCN2NC(c3ccc(C)cc3)=CCC2=O)cc1OC
InChIInChI=1S/C24H29N3O4/c1-17-4-7-19(8-5-17)20-9-11-24(29)27(26-20)15-13-23(28)25-14-12-18-6-10-21(30-2)22(16-18)31-3/h4-10,16,26H,11-15H2,1-3H3,(H,25,28)
InChIKeyRHOLPLUZVSNTPX-UHFFFAOYSA-N
XLogP2.84
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide
CID 4988354
N-(1,3-benzodioxol-5-ylmethyl)-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide
CID 4307363
3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide
CID 4281759
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994021
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
CID 2024588
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide
CID 166272884
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide
CID 119326320
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenoxy)butanamide
CID 19175359
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylanilino)propanamide
CID 109027746
dimethyl-[2-[[2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]azanium
CID 3574498

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide (CID 4301640) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide is COc1ccc(CCNC(=O)CCN2NC(c3ccc(C)cc3)=CCC2=O)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide?
The InChIKey is RHOLPLUZVSNTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-17-4-7-19(8-5-17)20-9-11-24(29)27(26-20)15-13-23(28)25-14-12-18-6-10-21(30-2)22(16-18)31-3/h4-10,16,26H,11-15H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide has a molecular weight of 423.51 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide is sourced from PubChem (CID 4301640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).