N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide

C23H26N4O6 — CID 19522576

IUPACN-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
SMILESCCOc1ccc(COc2ccc(NC(=O)Cn3ncc([N+](=O)[O-])c3C)cc2)cc1OCC
InChIInChI=1S/C23H26N4O6/c1-4-31-21-11-6-17(12-22(21)32-5-2)15-33-19-9-7-18(8-10-19)25-23(28)14-26-16(3)20(13-24-26)27(29)30/h6-13H,4-5,14-15H2,1-3H3,(H,25,28)
InChIKeyLHJINPUMGTWTND-UHFFFAOYSA-N
MW454.48 g/mol
LogP4.11
Rot. Bonds11

About N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide

N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide (PubChem CID 19522576) has the molecular formula C23H26N4O6 and a molecular weight of 454.48 g/mol. Its IUPAC name is N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
PubChem CID19522576
Molecular FormulaC23H26N4O6
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC NameN-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
SMILESCCOc1ccc(COc2ccc(NC(=O)Cn3ncc([N+](=O)[O-])c3C)cc2)cc1OCC
InChIInChI=1S/C23H26N4O6/c1-4-31-21-11-6-17(12-22(21)32-5-2)15-33-19-9-7-18(8-10-19)25-23(28)14-26-16(3)20(13-24-26)27(29)30/h6-13H,4-5,14-15H2,1-3H3,(H,25,28)
InChIKeyLHJINPUMGTWTND-UHFFFAOYSA-N
XLogP4.11
TPSA117.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide 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

N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19516042
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263994
N-(4-methyl-3,5-dinitrophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522574
4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide
CID 19476759
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522617
2-(5-methyl-4-nitropyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 19522441
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522682
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19524372
3-(5-methyl-4-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 19568020
N-(4-ethoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 39916547
ethyl (2R)-2-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-3-sulfanylpropanoate
CID 19584451
N'-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 4527998

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide (CID 19522576) is N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide is CCOc1ccc(COc2ccc(NC(=O)Cn3ncc([N+](=O)[O-])c3C)cc2)cc1OCC.
What is the InChIKey of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide?
The InChIKey is LHJINPUMGTWTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6/c1-4-31-21-11-6-17(12-22(21)32-5-2)15-33-19-9-7-18(8-10-19)25-23(28)14-26-16(3)20(13-24-26)27(29)30/h6-13H,4-5,14-15H2,1-3H3,(H,25,28).
What are the key properties of N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide?
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide has a molecular weight of 454.48 g/mol, XLogP of 4.11, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19522576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).