N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide

C24H29N3O4 — CID 18623542

IUPACN-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
SMILESCCOc1cc(C2=NN(Cc3ccc(NC(=O)C(C)C)cc3)C(=O)CC2)ccc1OC
InChIInChI=1S/C24H29N3O4/c1-5-31-22-14-18(8-12-21(22)30-4)20-11-13-23(28)27(26-20)15-17-6-9-19(10-7-17)25-24(29)16(2)3/h6-10,12,14,16H,5,11,13,15H2,1-4H3,(H,25,29)
InChIKeyGWHXPTVJUUAPNH-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.22
Rot. Bonds8

About N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide

N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide (PubChem CID 18623542) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
PubChem CID18623542
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
SMILESCCOc1cc(C2=NN(Cc3ccc(NC(=O)C(C)C)cc3)C(=O)CC2)ccc1OC
InChIInChI=1S/C24H29N3O4/c1-5-31-22-14-18(8-12-21(22)30-4)20-11-13-23(28)27(26-20)15-17-6-9-19(10-7-17)25-24(29)16(2)3/h6-10,12,14,16H,5,11,13,15H2,1-4H3,(H,25,29)
InChIKeyGWHXPTVJUUAPNH-UHFFFAOYSA-N
XLogP4.22
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]methanesulfonamide
CID 18623473
N-[4-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]propanamide
CID 18623336
N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]propanamide
CID 18623390
N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
CID 18623569
N-[4-[[5-(3-ethoxy-4-methoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]phenyl]acetamide
CID 19357893
ethyl N-[4-[[3-(4-methoxy-3-propan-2-yloxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-N-thiomorpholin-4-ylcarbamate
CID 174461782
2-[(3-aminophenyl)methyl]-6-(3,4-dimethoxyphenyl)-4,5-dihydropyridazin-3-one
CID 18623335
N-[4-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 54191312
[4-[[6-(3-ethoxy-4-methoxyphenyl)-3-oxo-4,5-dihydro-2H-pyridin-2-yl]methyl]phenyl]urea
CID 150756483
N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide
CID 54321574
N-[4-[2-[3-(3,4-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 54176992
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-methylpropanamide
CID 35341089

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide (CID 18623542) is N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide is CCOc1cc(C2=NN(Cc3ccc(NC(=O)C(C)C)cc3)C(=O)CC2)ccc1OC.
What is the InChIKey of N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide?
The InChIKey is GWHXPTVJUUAPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-5-31-22-14-18(8-12-21(22)30-4)20-11-13-23(28)27(26-20)15-17-6-9-19(10-7-17)25-24(29)16(2)3/h6-10,12,14,16H,5,11,13,15H2,1-4H3,(H,25,29).
What are the key properties of N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide?
N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide has a molecular weight of 423.51 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 18623542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).