N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide

C28H36N4O4 — CID 45488376

IUPACN-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide
SMILESCOCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1)C(=O)COCc1ccccc1
InChIInChI=1S/C28H36N4O4/c1-21-11-13-23(14-12-21)32-25(17-24(30-32)28(2,3)4)29-26(33)18-31(15-16-35-5)27(34)20-36-19-22-9-7-6-8-10-22/h6-14,17H,15-16,18-20H2,1-5H3,(H,29,33)
InChIKeyYAIZZUDZMRHOMG-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.11
Rot. Bonds11

About N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide

N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide (PubChem CID 45488376) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide
PubChem CID45488376
Molecular FormulaC28H36N4O4
Molecular Weight492.62 g/mol
Exact Mass492.27
IUPAC NameN-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide
SMILESCOCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1)C(=O)COCc1ccccc1
InChIInChI=1S/C28H36N4O4/c1-21-11-13-23(14-12-21)32-25(17-24(30-32)28(2,3)4)29-26(33)18-31(15-16-35-5)27(34)20-36-19-22-9-7-6-8-10-22/h6-14,17H,15-16,18-20H2,1-5H3,(H,29,33)
InChIKeyYAIZZUDZMRHOMG-UHFFFAOYSA-N
XLogP4.11
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 1-(3-(((S)-2-aminopropanamido)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-ylcarbamate
CID 44578542
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 4802711
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 42733093
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 16324760
N-(4-methyl-1-phenylpyrazol-5-yl)-2-phenylmethoxyacetamide
CID 53382546
US10323022, Example 100
CID 71040969
US10323022, Example 101
CID 118128602
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] benzoate
CID 4803443
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 41490179
N-({[1-(4-Fluorophenyl)-3-phenyl-1H-pyrazol-5-YL]carbamoyl}methyl)-2-phenoxy-N-propylacetamide
CID 1062374
2-[benzyl-(2-phenylmethoxyacetyl)amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3943622
N-[3-Tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-YL]-2-{[(2-fluorophenyl)carbamoyl](2-methoxyethyl)amino}acetamide
CID 4027755

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide?
The IUPAC name of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide (CID 45488376) is N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide.
What is the SMILES notation for N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide?
The canonical SMILES for N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide is COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1)C(=O)COCc1ccccc1.
What is the InChIKey of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide?
The InChIKey is YAIZZUDZMRHOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-21-11-13-23(14-12-21)32-25(17-24(30-32)28(2,3)4)29-26(33)18-31(15-16-35-5)27(34)20-36-19-22-9-7-6-8-10-22/h6-14,17H,15-16,18-20H2,1-5H3,(H,29,33).
What are the key properties of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide?
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide has a molecular weight of 492.62 g/mol, XLogP of 4.11, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide is sourced from PubChem (CID 45488376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).