N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide

C18H33N5O2 — CID 42733927

IUPACN-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide
SMILESCCNC(=O)N(CC)CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C
InChIInChI=1S/C18H33N5O2/c1-9-19-16(25)22(10-2)12-15(24)20-14-11-13(17(3,4)5)21-23(14)18(6,7)8/h11H,9-10,12H2,1-8H3,(H,19,25)(H,20,24)
InChIKeyUOTAMBSPXBAFMZ-UHFFFAOYSA-N
MW351.50 g/mol
LogP2.93
Rot. Bonds5

About N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide

N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide (PubChem CID 42733927) has the molecular formula C18H33N5O2 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide
PubChem CID42733927
Molecular FormulaC18H33N5O2
Molecular Weight351.50 g/mol
Exact Mass351.26
IUPAC NameN-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide
SMILESCCNC(=O)N(CC)CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C
InChIInChI=1S/C18H33N5O2/c1-9-19-16(25)22(10-2)12-15(24)20-14-11-13(17(3,4)5)21-23(14)18(6,7)8/h11H,9-10,12H2,1-8H3,(H,19,25)(H,20,24)
InChIKeyUOTAMBSPXBAFMZ-UHFFFAOYSA-N
XLogP2.93
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 42733244
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
CID 42732187
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide
CID 42733942
2-[benzyl(ethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42740988
N-butyl-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluorobenzamide
CID 42733222
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-nitro-N-propylbenzamide
CID 1062241
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-ethyl-N-(2-methylpropyl)hexanamide
CID 4555116
(E)-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-3-(4-nitrophenyl)prop-2-enamide
CID 42733273
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 42733207

Frequently Asked Questions

What is the IUPAC name of N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide?
The IUPAC name of N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide (CID 42733927) is N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide.
What is the SMILES notation for N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide?
The canonical SMILES for N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide is CCNC(=O)N(CC)CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C.
What is the InChIKey of N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide?
The InChIKey is UOTAMBSPXBAFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O2/c1-9-19-16(25)22(10-2)12-15(24)20-14-11-13(17(3,4)5)21-23(14)18(6,7)8/h11H,9-10,12H2,1-8H3,(H,19,25)(H,20,24).
What are the key properties of N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide?
N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide has a molecular weight of 351.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide is sourced from PubChem (CID 42733927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).