N-[2-(tert-butylamino)-2-oxoethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide

C14H22F2N4O2 — CID 48654367

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C14H22F2N4O2/c1-8-10(9(2)20(19-8)13(15)16)6-11(21)17-7-12(22)18-14(3,4)5/h13H,6-7H2,1-5H3,(H,17,21)(H,18,22)
InChIKeyMDRKTYBGGLWTHY-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.47
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 48654367) has the molecular formula C14H22F2N4O2 and a molecular weight of 316.35 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID48654367
Molecular FormulaC14H22F2N4O2
Molecular Weight316.35 g/mol
Exact Mass316.17
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C14H22F2N4O2/c1-8-10(9(2)20(19-8)13(15)16)6-11(21)17-7-12(22)18-14(3,4)5/h13H,6-7H2,1-5H3,(H,17,21)(H,18,22)
InChIKeyMDRKTYBGGLWTHY-UHFFFAOYSA-N
XLogP1.47
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 48654367) is N-[2-(tert-butylamino)-2-oxoethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is MDRKTYBGGLWTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O2/c1-8-10(9(2)20(19-8)13(15)16)6-11(21)17-7-12(22)18-14(3,4)5/h13H,6-7H2,1-5H3,(H,17,21)(H,18,22).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 316.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 48654367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).