(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide

C24H27N3O4 — CID 92881062

IUPAC(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccccc1CNC(=O)[C@H](C)Oc1ccc(=O)n(-c2ccc(C)c(C)c2)n1
InChIInChI=1S/C24H27N3O4/c1-5-30-21-9-7-6-8-19(21)15-25-24(29)18(4)31-22-12-13-23(28)27(26-22)20-11-10-16(2)17(3)14-20/h6-14,18H,5,15H2,1-4H3,(H,25,29)/t18-/m0/s1
InChIKeyFFUYPIQTBXVDAS-SFHVURJKSA-N
MW421.50 g/mol
LogP3.33
Rot. Bonds8

About (2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide

(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide (PubChem CID 92881062) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is (2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide
PubChem CID92881062
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccccc1CNC(=O)[C@H](C)Oc1ccc(=O)n(-c2ccc(C)c(C)c2)n1
InChIInChI=1S/C24H27N3O4/c1-5-30-21-9-7-6-8-19(21)15-25-24(29)18(4)31-22-12-13-23(28)27(26-22)20-11-10-16(2)17(3)14-20/h6-14,18H,5,15H2,1-4H3,(H,25,29)/t18-/m0/s1
InChIKeyFFUYPIQTBXVDAS-SFHVURJKSA-N
XLogP3.33
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide
CID 46381619
2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[2-(furan-2-yl)ethyl]propanamide
CID 46381662
2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 46381615
(2R)-2-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92881958
ethyl 4-[[(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanoyl]amino]benzoate
CID 92881002
(2R)-N-(2-ethoxyphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880917
(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3,4,5-trimethoxyphenyl)propanamide
CID 95085426
(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880949
(2S)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 92881204
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880959
(2R)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 92880947
N-(2-chloro-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381627

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide (CID 92881062) is (2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide is CCOc1ccccc1CNC(=O)[C@H](C)Oc1ccc(=O)n(-c2ccc(C)c(C)c2)n1.
What is the InChIKey of (2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide?
The InChIKey is FFUYPIQTBXVDAS-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-5-30-21-9-7-6-8-19(21)15-25-24(29)18(4)31-22-12-13-23(28)27(26-22)20-11-10-16(2)17(3)14-20/h6-14,18H,5,15H2,1-4H3,(H,25,29)/t18-/m0/s1.
What are the key properties of (2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide?
(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide has a molecular weight of 421.50 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[(2-ethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 92881062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).