N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide

C26H31N3O4 — CID 55875216

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide
SMILESCCCOc1ccc(CN(CCC)C(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1OC
InChIInChI=1S/C26H31N3O4/c1-4-15-28(18-20-11-13-23(33-16-5-2)24(17-20)32-3)26(31)19-29-25(30)14-12-22(27-29)21-9-7-6-8-10-21/h6-14,17H,4-5,15-16,18-19H2,1-3H3
InChIKeyDUCQPBPRGUVTJN-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.15
Rot. Bonds11

About N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide

N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide (PubChem CID 55875216) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide
PubChem CID55875216
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide
SMILESCCCOc1ccc(CN(CCC)C(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1OC
InChIInChI=1S/C26H31N3O4/c1-4-15-28(18-20-11-13-23(33-16-5-2)24(17-20)32-3)26(31)19-29-25(30)14-12-22(27-29)21-9-7-6-8-10-21/h6-14,17H,4-5,15-16,18-19H2,1-3H3
InChIKeyDUCQPBPRGUVTJN-UHFFFAOYSA-N
XLogP4.15
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide
CID 55332644
2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
N-benzyl-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 51048621
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119268681
2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332598
(2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide
CID 119268690
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967
N-[(3-ethoxy-4-propoxyphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)-N-propylpyridazine-3-carboxamide
CID 55429841
N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propyl-2-(trifluoromethylsulfanyl)acetamide
CID 55666830
N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121052217
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6620516

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide (CID 55875216) is N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide is CCCOc1ccc(CN(CCC)C(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide?
The InChIKey is DUCQPBPRGUVTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-4-15-28(18-20-11-13-23(33-16-5-2)24(17-20)32-3)26(31)19-29-25(30)14-12-22(27-29)21-9-7-6-8-10-21/h6-14,17H,4-5,15-16,18-19H2,1-3H3.
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide?
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide has a molecular weight of 449.55 g/mol, XLogP of 4.15, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide is sourced from PubChem (CID 55875216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).