N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide

C22H24N4O3 — CID 46440829

IUPACN-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCc1ccc(OCC(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)c(C)c1
InChIInChI=1S/C22H24N4O3/c1-15-8-9-20(16(2)12-15)29-14-21(27)24-18-6-4-7-19(13-18)25-22(28)17(3)26-11-5-10-23-26/h4-13,17H,14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyITBPKDYGFAPDOA-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.72
Rot. Bonds7

About N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide

N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 46440829) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID46440829
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCc1ccc(OCC(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)c(C)c1
InChIInChI=1S/C22H24N4O3/c1-15-8-9-20(16(2)12-15)29-14-21(27)24-18-6-4-7-19(13-18)25-22(28)17(3)26-11-5-10-23-26/h4-13,17H,14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyITBPKDYGFAPDOA-UHFFFAOYSA-N
XLogP3.72
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 42958650
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
(2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 34385299
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 43068731
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46432285
2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 837829
N-(2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 42949038

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide (CID 46440829) is N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide is Cc1ccc(OCC(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)c(C)c1.
What is the InChIKey of N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is ITBPKDYGFAPDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-8-9-20(16(2)12-15)29-14-21(27)24-18-6-4-7-19(13-18)25-22(28)17(3)26-11-5-10-23-26/h4-13,17H,14H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 392.46 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 46440829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).