[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

C22H30N4O4 — CID 46673429

IUPAC[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
SMILESCc1nn(C)c(C)c1CCC(=O)OCC(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C22H30N4O4/c1-14(2)12-23-22(29)18-8-6-7-9-19(18)24-20(27)13-30-21(28)11-10-17-15(3)25-26(5)16(17)4/h6-9,14H,10-13H2,1-5H3,(H,23,29)(H,24,27)
InChIKeyGCFSFAMLHOZDQD-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.54
Rot. Bonds9

About [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate (PubChem CID 46673429) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Name[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
PubChem CID46673429
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
SMILESCc1nn(C)c(C)c1CCC(=O)OCC(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C22H30N4O4/c1-14(2)12-23-22(29)18-8-6-7-9-19(18)24-20(27)13-30-21(28)11-10-17-15(3)25-26(5)16(17)4/h6-9,14H,10-13H2,1-5H3,(H,23,29)(H,24,27)
InChIKeyGCFSFAMLHOZDQD-UHFFFAOYSA-N
XLogP2.54
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 55473476
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 55473570
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 55318028
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 31400167
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 38366075
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954973
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 46673427
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598474
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 31124735
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922
dimethyl 5-[[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 46673267
N-(2-aminoethyl)-2-[[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]benzamide;dihydrochloride
CID 120603325

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
The IUPAC name of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate (CID 46673429) is [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate.
What is the SMILES notation for [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
The canonical SMILES for [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate is Cc1nn(C)c(C)c1CCC(=O)OCC(=O)Nc1ccccc1C(=O)NCC(C)C.
What is the InChIKey of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
The InChIKey is GCFSFAMLHOZDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-14(2)12-23-22(29)18-8-6-7-9-19(18)24-20(27)13-30-21(28)11-10-17-15(3)25-26(5)16(17)4/h6-9,14H,10-13H2,1-5H3,(H,23,29)(H,24,27).
What are the key properties of [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate has a molecular weight of 414.51 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate is sourced from PubChem (CID 46673429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).