2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide

C16H28N4O2 — CID 42740478

IUPAC2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
SMILESCCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(C)=O
InChIInChI=1S/C16H28N4O2/c1-7-8-9-20(12(2)21)11-15(22)17-14-10-13(16(3,4)5)18-19(14)6/h10H,7-9,11H2,1-6H3,(H,17,22)
InChIKeyBUARFVMNEGCYSH-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.30
Rot. Bonds6

About 2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide

2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide (PubChem CID 42740478) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
PubChem CID42740478
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
SMILESCCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(C)=O
InChIInChI=1S/C16H28N4O2/c1-7-8-9-20(12(2)21)11-15(22)17-14-10-13(16(3,4)5)18-19(14)6/h10H,7-9,11H2,1-6H3,(H,17,22)
InChIKeyBUARFVMNEGCYSH-UHFFFAOYSA-N
XLogP2.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]heptanamide
CID 42740507
N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dichloroacetamide
CID 42740466
N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42740482
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[butyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 42740512
N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-chloro-2-phenylacetamide
CID 4556483
N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dichloro-N-propylacetamide
CID 1060776
N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 42740504
N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)dodecanamide
CID 3942086
N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide
CID 42740557
2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 3942291
N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide
CID 42740387
2-[(4-bromophenyl)sulfonyl-butylamino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 42740710

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide (CID 42740478) is 2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide is CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(C)=O.
What is the InChIKey of 2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
The InChIKey is BUARFVMNEGCYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-7-8-9-20(12(2)21)11-15(22)17-14-10-13(16(3,4)5)18-19(14)6/h10H,7-9,11H2,1-6H3,(H,17,22).
What are the key properties of 2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide?
2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide has a molecular weight of 308.43 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide is sourced from PubChem (CID 42740478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).