N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide

C21H21N3O3 — CID 49033929

IUPACN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cccc(OCC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)c1
InChIInChI=1S/C21H21N3O3/c1-14(2)15-5-4-8-18(12-15)27-13-21(26)22-17-7-3-6-16(11-17)19-9-10-20(25)24-23-19/h3-12,14H,13H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyGMWFFFYIKSBORD-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.58
Rot. Bonds6

About N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide

N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 49033929) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID49033929
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cccc(OCC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)c1
InChIInChI=1S/C21H21N3O3/c1-14(2)15-5-4-8-18(12-15)27-13-21(26)22-17-7-3-6-16(11-17)19-9-10-20(25)24-23-19/h3-12,14H,13H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyGMWFFFYIKSBORD-UHFFFAOYSA-N
XLogP3.58
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108769888
2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108747829
N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175983
methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate
CID 49033446
2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 61035869
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide
CID 49035162
N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176026
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108811605
2-[3-(1-hydroxyethyl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 110884631
2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 49035248
2-cyclopentyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 51100304

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide (CID 49033929) is N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide is CC(C)c1cccc(OCC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)c1.
What is the InChIKey of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is GMWFFFYIKSBORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14(2)15-5-4-8-18(12-15)27-13-21(26)22-17-7-3-6-16(11-17)19-9-10-20(25)24-23-19/h3-12,14H,13H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide?
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 363.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 49033929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).