4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide

C23H25N3O3 — CID 16885616

IUPAC4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCCC(=O)N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C23H25N3O3/c1-3-29-20-13-11-18(12-14-20)21-15-16-23(28)26(24-21)17-7-10-22(27)25(2)19-8-5-4-6-9-19/h4-6,8-9,11-16H,3,7,10,17H2,1-2H3
InChIKeyPHSONOBWOQWBCI-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.75
Rot. Bonds8

About 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide

4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide (PubChem CID 16885616) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide
PubChem CID16885616
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCCC(=O)N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C23H25N3O3/c1-3-29-20-13-11-18(12-14-20)21-15-16-23(28)26(24-21)17-7-10-22(27)25(2)19-8-5-4-6-9-19/h4-6,8-9,11-16H,3,7,10,17H2,1-2H3
InChIKeyPHSONOBWOQWBCI-UHFFFAOYSA-N
XLogP3.75
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 16885772
N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885496
N-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 16885143
3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
CID 51366097
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050431
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide
CID 16885602
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 16885563
2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one
CID 16885514
N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885622
N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050455
N-[3,5-bis(trifluoromethyl)phenyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885591

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide?
The IUPAC name of 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide (CID 16885616) is 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide.
What is the SMILES notation for 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide?
The canonical SMILES for 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide is CCOc1ccc(-c2ccc(=O)n(CCCC(=O)N(C)c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide?
The InChIKey is PHSONOBWOQWBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-29-20-13-11-18(12-14-20)21-15-16-23(28)26(24-21)17-7-10-22(27)25(2)19-8-5-4-6-9-19/h4-6,8-9,11-16H,3,7,10,17H2,1-2H3.
What are the key properties of 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide?
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide has a molecular weight of 391.47 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide is sourced from PubChem (CID 16885616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).