N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide

C22H40N4O2 — CID 42740387

IUPACN-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide
SMILESCCCCC(CC)C(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1C)CC(C)C
InChIInChI=1S/C22H40N4O2/c1-9-11-12-17(10-2)21(28)26(14-16(3)4)15-20(27)23-19-13-18(22(5,6)7)24-25(19)8/h13,16-17H,9-12,14-15H2,1-8H3,(H,23,27)
InChIKeyLIPXHMLFHJSCBF-UHFFFAOYSA-N
MW392.59 g/mol
LogP4.36
Rot. Bonds10

About N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide

N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide (PubChem CID 42740387) has the molecular formula C22H40N4O2 and a molecular weight of 392.59 g/mol. Its IUPAC name is N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide.

Molecular Properties

Compound NameN-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide
PubChem CID42740387
Molecular FormulaC22H40N4O2
Molecular Weight392.59 g/mol
Exact Mass392.32
IUPAC NameN-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide
SMILESCCCCC(CC)C(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1C)CC(C)C
InChIInChI=1S/C22H40N4O2/c1-9-11-12-17(10-2)21(28)26(14-16(3)4)15-20(27)23-19-13-18(22(5,6)7)24-25(19)8/h13,16-17H,9-12,14-15H2,1-8H3,(H,23,27)
InChIKeyLIPXHMLFHJSCBF-UHFFFAOYSA-N
XLogP4.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide
CID 4555116
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-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-diethylhexanamide
CID 42732474
N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dichloro-N-propylacetamide
CID 1060776
2-ethyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 5107350
N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]heptanamide
CID 42740507
2-[(2-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 42740614
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]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42740576
N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)dodecanamide
CID 3942086
N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide
CID 4214119

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide?
The IUPAC name of N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide (CID 42740387) is N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide.
What is the SMILES notation for N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide?
The canonical SMILES for N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide is CCCCC(CC)C(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1C)CC(C)C.
What is the InChIKey of N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide?
The InChIKey is LIPXHMLFHJSCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O2/c1-9-11-12-17(10-2)21(28)26(14-16(3)4)15-20(27)23-19-13-18(22(5,6)7)24-25(19)8/h13,16-17H,9-12,14-15H2,1-8H3,(H,23,27).
What are the key properties of N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide?
N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide has a molecular weight of 392.59 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide is sourced from PubChem (CID 42740387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).