2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide

C22H24N4O4 — CID 49214142

IUPAC2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(NC(=O)COc3ccc(C)c(C)c3)cn2)cc1
InChIInChI=1S/C22H24N4O4/c1-15-4-7-20(10-16(15)2)30-14-22(28)25-18-11-23-26(12-18)13-21(27)24-17-5-8-19(29-3)9-6-17/h4-12H,13-14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyFHLBILOAQIOBDX-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.16
Rot. Bonds8

About 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide

2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 49214142) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID49214142
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(NC(=O)COc3ccc(C)c(C)c3)cn2)cc1
InChIInChI=1S/C22H24N4O4/c1-15-4-7-20(10-16(15)2)30-14-22(28)25-18-11-23-26(12-18)13-21(27)24-17-5-8-19(29-3)9-6-17/h4-12H,13-14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyFHLBILOAQIOBDX-UHFFFAOYSA-N
XLogP3.16
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide
CID 49214185
2-(4-bromo-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 1010190
2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
CID 120988056
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 7925162
N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide
CID 56521772
N-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345676
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144
2-(3,5-dimethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 7707204
2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153670
2-(3,4-dimethylphenoxy)-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 17335458
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 49214206

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide (CID 49214142) is 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2cc(NC(=O)COc3ccc(C)c(C)c3)cn2)cc1.
What is the InChIKey of 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is FHLBILOAQIOBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-15-4-7-20(10-16(15)2)30-14-22(28)25-18-11-23-26(12-18)13-21(27)24-17-5-8-19(29-3)9-6-17/h4-12H,13-14H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 408.46 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 49214142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).