methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate

C23H25F2N3O5 — CID 18623412

IUPACmethyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
SMILESCCC1CC(=O)N(Cc2ccc(NC(=O)OC)cc2)N=C1c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C23H25F2N3O5/c1-4-15-12-20(29)28(13-14-5-8-17(9-6-14)26-23(30)32-3)27-21(15)16-7-10-18(33-22(24)25)19(11-16)31-2/h5-11,15,22H,4,12-13H2,1-3H3,(H,26,30)
InChIKeyOCCVKBRWWJHYBW-UHFFFAOYSA-N
MW461.47 g/mol
LogP4.64
Rot. Bonds8

About methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate

methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate (PubChem CID 18623412) has the molecular formula C23H25F2N3O5 and a molecular weight of 461.47 g/mol. Its IUPAC name is methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
PubChem CID18623412
Molecular FormulaC23H25F2N3O5
Molecular Weight461.47 g/mol
Exact Mass461.18
IUPAC Namemethyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
SMILESCCC1CC(=O)N(Cc2ccc(NC(=O)OC)cc2)N=C1c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C23H25F2N3O5/c1-4-15-12-20(29)28(13-14-5-8-17(9-6-14)26-23(30)32-3)27-21(15)16-7-10-18(33-22(24)25)19(11-16)31-2/h5-11,15,22H,4,12-13H2,1-3H3,(H,26,30)
InChIKeyOCCVKBRWWJHYBW-UHFFFAOYSA-N
XLogP4.64
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate (CID 18623412) is methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate is CCC1CC(=O)N(Cc2ccc(NC(=O)OC)cc2)N=C1c1ccc(OC(F)F)c(OC)c1.
What is the InChIKey of methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate?
The InChIKey is OCCVKBRWWJHYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O5/c1-4-15-12-20(29)28(13-14-5-8-17(9-6-14)26-23(30)32-3)27-21(15)16-7-10-18(33-22(24)25)19(11-16)31-2/h5-11,15,22H,4,12-13H2,1-3H3,(H,26,30).
What are the key properties of methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate?
methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate has a molecular weight of 461.47 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate is sourced from PubChem (CID 18623412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).