N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide

C17H30N4O3 — CID 42740576

IUPACN-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)C(C)C
InChIInChI=1S/C17H30N4O3/c1-12(2)16(23)21(8-9-24-7)11-15(22)18-14-10-13(17(3,4)5)19-20(14)6/h10,12H,8-9,11H2,1-7H3,(H,18,22)
InChIKeyAUKJACIWPRMESH-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.79
Rot. Bonds7

About N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide

N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide (PubChem CID 42740576) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
PubChem CID42740576
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC NameN-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)C(C)C
InChIInChI=1S/C17H30N4O3/c1-12(2)16(23)21(8-9-24-7)11-15(22)18-14-10-13(17(3,4)5)19-20(14)6/h10,12H,8-9,11H2,1-7H3,(H,18,22)
InChIKeyAUKJACIWPRMESH-UHFFFAOYSA-N
XLogP1.79
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 42740597
N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)dodecanamide
CID 3942086
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 42740698
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 42740697
N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dichloro-N-propylacetamide
CID 1060776
2-[(3-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 42740680
N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-2-methylpropanamide
CID 4682196
N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dichloroacetamide
CID 42740466
2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 42740478
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide
CID 42734793
N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]heptanamide
CID 42740507
N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide
CID 42740387

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide?
The IUPAC name of N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide (CID 42740576) is N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide.
What is the SMILES notation for N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide?
The canonical SMILES for N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide is COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)C(C)C.
What is the InChIKey of N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide?
The InChIKey is AUKJACIWPRMESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-12(2)16(23)21(8-9-24-7)11-15(22)18-14-10-13(17(3,4)5)19-20(14)6/h10,12H,8-9,11H2,1-7H3,(H,18,22).
What are the key properties of N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide?
N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide is sourced from PubChem (CID 42740576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).