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

C25H31N3O4 — CID 18623569

IUPACN-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
SMILESCCC1CC(=O)N(Cc2cccc(NC(=O)C(C)C)c2)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H31N3O4/c1-6-18-14-23(29)28(15-17-8-7-9-20(12-17)26-25(30)16(2)3)27-24(18)19-10-11-21(31-4)22(13-19)32-5/h7-13,16,18H,6,14-15H2,1-5H3,(H,26,30)
InChIKeyXRXMIOANOHBDMR-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.46
Rot. Bonds8

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

N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide (PubChem CID 18623569) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
PubChem CID18623569
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
SMILESCCC1CC(=O)N(Cc2cccc(NC(=O)C(C)C)c2)N=C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H31N3O4/c1-6-18-14-23(29)28(15-17-8-7-9-20(12-17)26-25(30)16(2)3)27-24(18)19-10-11-21(31-4)22(13-19)32-5/h7-13,16,18H,6,14-15H2,1-5H3,(H,26,30)
InChIKeyXRXMIOANOHBDMR-UHFFFAOYSA-N
XLogP4.46
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
CID 18623609
N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 10205542
6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(2-methoxyphenyl)methyl]-4,5-dihydropyridazin-3-one
CID 18623506
6-(3,4-dimethoxyphenyl)-5-ethyl-2-[(3-nitrophenyl)methyl]-4,5-dihydropyridazin-3-one
CID 18623400
N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride
CID 158299520
N-[4-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide
CID 18623510
methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 18623412
N-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide
CID 54073612
N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-oxopropanamide
CID 54321574
methyl N-[4-[[4-ethyl-3-[4-methoxy-3-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 18623316
6-(3,4-dimethoxyphenyl)-2-[(2,3-dinitrophenyl)methyl]-5-ethyl-4,5-dihydropyridazin-3-one
CID 18623476
N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide
CID 18623546

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide (CID 18623569) is N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide is CCC1CC(=O)N(Cc2cccc(NC(=O)C(C)C)c2)N=C1c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide?
The InChIKey is XRXMIOANOHBDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-6-18-14-23(29)28(15-17-8-7-9-20(12-17)26-25(30)16(2)3)27-24(18)19-10-11-21(31-4)22(13-19)32-5/h7-13,16,18H,6,14-15H2,1-5H3,(H,26,30).
What are the key properties of N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide?
N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide has a molecular weight of 437.54 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 18623569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).