N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide

C21H38N4O2 — CID 42732187

IUPACN-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
SMILESCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C21H38N4O2/c1-11-12-24(18(27)20(5,6)7)14-17(26)22-16-13-15(19(2,3)4)23-25(16)21(8,9)10/h13H,11-12,14H2,1-10H3,(H,22,26)
InChIKeyPWFVEADJSRBLNI-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.16
Rot. Bonds5

About N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide

N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide (PubChem CID 42732187) has the molecular formula C21H38N4O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide.

Molecular Properties

Compound NameN-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
PubChem CID42732187
Molecular FormulaC21H38N4O2
Molecular Weight378.56 g/mol
Exact Mass378.30
IUPAC NameN-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
SMILESCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C21H38N4O2/c1-11-12-24(18(27)20(5,6)7)14-17(26)22-16-13-15(19(2,3)4)23-25(16)21(8,9)10/h13H,11-12,14H2,1-10H3,(H,22,26)
InChIKeyPWFVEADJSRBLNI-UHFFFAOYSA-N
XLogP4.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide
CID 42733927
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-nitro-N-propylbenzamide
CID 1062241
N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide
CID 42733934
N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide
CID 5176067
N-butyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluorobenzamide
CID 42733222
N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dichloro-N-propylacetamide
CID 1060776
2-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 42733244
N-butyl-3-cyclopentyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]propanamide
CID 42733223
N-[2-[[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2,2-dimethyl-N-pentylpropanamide
CID 42734872
N-butyl-2-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-phenylacetamide
CID 3621663
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-ethyl-N-(2-methylpropyl)hexanamide
CID 4555116
N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide
CID 42740557

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide?
The IUPAC name of N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide (CID 42732187) is N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide.
What is the SMILES notation for N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide?
The canonical SMILES for N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide is CCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide?
The InChIKey is PWFVEADJSRBLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O2/c1-11-12-24(18(27)20(5,6)7)14-17(26)22-16-13-15(19(2,3)4)23-25(16)21(8,9)10/h13H,11-12,14H2,1-10H3,(H,22,26).
What are the key properties of N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide?
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide has a molecular weight of 378.56 g/mol, XLogP of 4.16, 5 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]-2,2-dimethyl-N-propylpropanamide is sourced from PubChem (CID 42732187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).