2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide

C18H23N3O3 — CID 121058977

IUPAC2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide
SMILESCc1ccc(=O)n(CCNC(=O)C(C)Oc2cccc(C)c2C)n1
InChIInChI=1S/C18H23N3O3/c1-12-6-5-7-16(14(12)3)24-15(4)18(23)19-10-11-21-17(22)9-8-13(2)20-21/h5-9,15H,10-11H2,1-4H3,(H,19,23)
InChIKeyZYDORTFOSDFILU-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.75
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide

2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide (PubChem CID 121058977) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide
PubChem CID121058977
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide
SMILESCc1ccc(=O)n(CCNC(=O)C(C)Oc2cccc(C)c2C)n1
InChIInChI=1S/C18H23N3O3/c1-12-6-5-7-16(14(12)3)24-15(4)18(23)19-10-11-21-17(22)9-8-13(2)20-21/h5-9,15H,10-11H2,1-4H3,(H,19,23)
InChIKeyZYDORTFOSDFILU-UHFFFAOYSA-N
XLogP1.75
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide
CID 28571801
N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43876130
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide
CID 122277868
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 39710056
(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 28984413
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide
CID 90539005
6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
CID 62923541
2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119210
(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide
CID 26546234
(2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 94843598
2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218986

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide (CID 121058977) is 2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide is Cc1ccc(=O)n(CCNC(=O)C(C)Oc2cccc(C)c2C)n1.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide?
The InChIKey is ZYDORTFOSDFILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-6-5-7-16(14(12)3)24-15(4)18(23)19-10-11-21-17(22)9-8-13(2)20-21/h5-9,15H,10-11H2,1-4H3,(H,19,23).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide?
2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 121058977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).