N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide

C19H26N4O2 — CID 51075473

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H26N4O2/c1-5-22(14-17(24)21-19(2,3)4)18(25)11-15-12-20-23(13-15)16-9-7-6-8-10-16/h6-10,12-13H,5,11,14H2,1-4H3,(H,21,24)
InChIKeySTSOYBOGVLISGZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.18
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 51075473) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID51075473
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H26N4O2/c1-5-22(14-17(24)21-19(2,3)4)18(25)11-15-12-20-23(13-15)16-9-7-6-8-10-16/h6-10,12-13H,5,11,14H2,1-4H3,(H,21,24)
InChIKeySTSOYBOGVLISGZ-UHFFFAOYSA-N
XLogP2.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide
CID 51072889
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661
N-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride
CID 119581500
N-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide
CID 46980269
2-[ethyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-methylpropanoic acid
CID 62820285
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 47018637
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 51982797
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35369573

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide (CID 51075473) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide is CCN(CC(=O)NC(C)(C)C)C(=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is STSOYBOGVLISGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-22(14-17(24)21-19(2,3)4)18(25)11-15-12-20-23(13-15)16-9-7-6-8-10-16/h6-10,12-13H,5,11,14H2,1-4H3,(H,21,24).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 51075473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).