[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate

C24H26N4O4 — CID 32934667

IUPAC[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)COC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C24H26N4O4/c1-17-8-7-9-18(2)24(17)26-21(29)15-27(3)22(30)16-32-23(31)12-19-13-25-28(14-19)20-10-5-4-6-11-20/h4-11,13-14H,12,15-16H2,1-3H3,(H,26,29)
InChIKeyFIZNZGATZXKYKV-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.67
Rot. Bonds8

About [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate

[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate (PubChem CID 32934667) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate.

Molecular Properties

Compound Name[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
PubChem CID32934667
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)COC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C24H26N4O4/c1-17-8-7-9-18(2)24(17)26-21(29)15-27(3)22(30)16-32-23(31)12-19-13-25-28(14-19)20-10-5-4-6-11-20/h4-11,13-14H,12,15-16H2,1-3H3,(H,26,29)
InChIKeyFIZNZGATZXKYKV-UHFFFAOYSA-N
XLogP2.67
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 31022186
N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17416541
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 27890651
ethyl 4-[[2-[2-(1-phenylpyrazol-4-yl)acetyl]oxyacetyl]amino]butanoate
CID 31022629
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 9490663
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-methylbut-2-enoate
CID 9290835
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32934582
N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950361
N-(2,6-dimethylphenyl)-2-[methyl-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 42294980
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 55424386
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 9347734
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 9289378

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate?
The IUPAC name of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate (CID 32934667) is [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate.
What is the SMILES notation for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate?
The canonical SMILES for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate is Cc1cccc(C)c1NC(=O)CN(C)C(=O)COC(=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate?
The InChIKey is FIZNZGATZXKYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-17-8-7-9-18(2)24(17)26-21(29)15-27(3)22(30)16-32-23(31)12-19-13-25-28(14-19)20-10-5-4-6-11-20/h4-11,13-14H,12,15-16H2,1-3H3,(H,26,29).
What are the key properties of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate?
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate has a molecular weight of 434.50 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate is sourced from PubChem (CID 32934667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).