2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide

C16H19N3O4 — CID 95279087

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccccc1[C@@H](C)N(C)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C16H19N3O4/c1-11(12-6-4-5-7-13(12)23-3)18(2)16(22)10-19-15(21)9-8-14(20)17-19/h4-9,11H,10H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyIDTIRBFZNVMHEW-LLVKDONJSA-N
MW317.35 g/mol
LogP0.76
Rot. Bonds5

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 95279087) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide
PubChem CID95279087
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccccc1[C@@H](C)N(C)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C16H19N3O4/c1-11(12-6-4-5-7-13(12)23-3)18(2)16(22)10-19-15(21)9-8-14(20)17-19/h4-9,11H,10H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyIDTIRBFZNVMHEW-LLVKDONJSA-N
XLogP0.76
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 46588357
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 56745247
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54871032
2-(3,4-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 75871944
2-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 46591974
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
CID 97279194
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 120775483
4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 46588371
(3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
CID 97347396
2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 60939770
2-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 134054508
(3R)-3-hydroxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
CID 97347397

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide (CID 95279087) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide is COc1ccccc1[C@@H](C)N(C)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is IDTIRBFZNVMHEW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11(12-6-4-5-7-13(12)23-3)18(2)16(22)10-19-15(21)9-8-14(20)17-19/h4-9,11H,10H2,1-3H3,(H,17,20)/t11-/m1/s1.
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 317.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 95279087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).