N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide

C20H26N4O3 — CID 18118227

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C20H26N4O3/c1-13-17(14(2)24(22-13)15-10-8-7-9-11-15)18(26)19(27)23(6)12-16(25)21-20(3,4)5/h7-11H,12H2,1-6H3,(H,21,25)
InChIKeyTUBDXCYUMBHWKW-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.04
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide (PubChem CID 18118227) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide
PubChem CID18118227
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C20H26N4O3/c1-13-17(14(2)24(22-13)15-10-8-7-9-11-15)18(26)19(27)23(6)12-16(25)21-20(3,4)5/h7-11H,12H2,1-6H3,(H,21,25)
InChIKeyTUBDXCYUMBHWKW-UHFFFAOYSA-N
XLogP2.04
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide
CID 18112205
N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 51273944
N-[(2,3-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide
CID 18112125
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 112792818
1-tert-butyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)urea
CID 78834613
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 24640190
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]acetamide
CID 55814054
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-phenylimidazole-4-carboxamide
CID 18118141
N-benzyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 34907626
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 42939409
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 27760714
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 8712451

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide (CID 18118227) is N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide?
The InChIKey is TUBDXCYUMBHWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13-17(14(2)24(22-13)15-10-8-7-9-11-15)18(26)19(27)23(6)12-16(25)21-20(3,4)5/h7-11H,12H2,1-6H3,(H,21,25).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide has a molecular weight of 370.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 18118227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).