4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide

C21H21N3O4 — CID 49035162

IUPAC4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)cc1
InChIInChI=1S/C21H21N3O4/c1-27-17-7-9-18(10-8-17)28-13-3-6-20(25)22-16-5-2-4-15(14-16)19-11-12-21(26)24-23-19/h2,4-5,7-12,14H,3,6,13H2,1H3,(H,22,25)(H,24,26)
InChIKeyYKFZEMDHTVJINN-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.24
Rot. Bonds8

About 4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide

4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide (PubChem CID 49035162) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide
PubChem CID49035162
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)cc1
InChIInChI=1S/C21H21N3O4/c1-27-17-7-9-18(10-8-17)28-13-3-6-20(25)22-16-5-2-4-15(14-16)19-11-12-21(26)24-23-19/h2,4-5,7-12,14H,3,6,13H2,1H3,(H,22,25)(H,24,26)
InChIKeyYKFZEMDHTVJINN-UHFFFAOYSA-N
XLogP3.24
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 49035377
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108747829
2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108769888
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 49033929
3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide
CID 110732503
2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 47086774
N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide
CID 108747772
methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate
CID 49033446
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 49035148
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108811605

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide (CID 49035162) is 4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide is COc1ccc(OCCCC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide?
The InChIKey is YKFZEMDHTVJINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-27-17-7-9-18(10-8-17)28-13-3-6-20(25)22-16-5-2-4-15(14-16)19-11-12-21(26)24-23-19/h2,4-5,7-12,14H,3,6,13H2,1H3,(H,22,25)(H,24,26).
What are the key properties of 4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide?
4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide has a molecular weight of 379.42 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide is sourced from PubChem (CID 49035162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).