N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide

C25H46N4O2 — CID 4555116

IUPACN-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide
SMILESCCCCC(CC)C(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)CC(C)C
InChIInChI=1S/C25H46N4O2/c1-11-13-14-19(12-2)23(31)28(16-18(3)4)17-22(30)26-21-15-20(24(5,6)7)27-29(21)25(8,9)10/h15,18-19H,11-14,16-17H2,1-10H3,(H,26,30)
InChIKeyGTNGTHCKNMJUFP-UHFFFAOYSA-N
MW434.67 g/mol
LogP5.58
Rot. Bonds10

About N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide

N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide (PubChem CID 4555116) has the molecular formula C25H46N4O2 and a molecular weight of 434.67 g/mol. Its IUPAC name is N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide.

Molecular Properties

Compound NameN-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide
PubChem CID4555116
Molecular FormulaC25H46N4O2
Molecular Weight434.67 g/mol
Exact Mass434.36
IUPAC NameN-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide
SMILESCCCCC(CC)C(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)CC(C)C
InChIInChI=1S/C25H46N4O2/c1-11-13-14-19(12-2)23(31)28(16-18(3)4)17-22(30)26-21-15-20(24(5,6)7)27-29(21)25(8,9)10/h15,18-19H,11-14,16-17H2,1-10H3,(H,26,30)
InChIKeyGTNGTHCKNMJUFP-UHFFFAOYSA-N
XLogP5.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.67
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide with MolForge

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Related Compounds

N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide
CID 42740387
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-diethylhexanamide
CID 42732474
4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 1052179
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 42733207
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
CID 42732187
2-ethyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 5107350
N-(1,3-ditert-butylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 1052181
N-butyl-2-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-phenylacetamide
CID 3621663
N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide
CID 42733927
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 42733896
N-butyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluorobenzamide
CID 42733222
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 42733897

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide?
The IUPAC name of N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide (CID 4555116) is N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide.
What is the SMILES notation for N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide?
The canonical SMILES for N-[2-[(1,3-ditert-butylpyrazol-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(C)(C)C)CC(C)C.
What is the InChIKey of N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide?
The InChIKey is GTNGTHCKNMJUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N4O2/c1-11-13-14-19(12-2)23(31)28(16-18(3)4)17-22(30)26-21-15-20(24(5,6)7)27-29(21)25(8,9)10/h15,18-19H,11-14,16-17H2,1-10H3,(H,26,30).
What are the key properties of N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide?
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide has a molecular weight of 434.67 g/mol, XLogP of 5.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide is sourced from PubChem (CID 4555116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).