2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide

C21H28N4O2 — CID 23723477

IUPAC2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
SMILESCC(=O)NCC(=O)NC1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H28N4O2/c1-14(26)22-13-20(27)24-18-6-5-7-19-17(18)12-23-25(19)16-10-8-15(9-11-16)21(2,3)4/h8-12,18H,5-7,13H2,1-4H3,(H,22,26)(H,24,27)
InChIKeyWDOVTEPLVMFTRQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.80
Rot. Bonds4

About 2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide

2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide (PubChem CID 23723477) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
PubChem CID23723477
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
SMILESCC(=O)NCC(=O)NC1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H28N4O2/c1-14(26)22-13-20(27)24-18-6-5-7-19-17(18)12-23-25(19)16-10-8-15(9-11-16)21(2,3)4/h8-12,18H,5-7,13H2,1-4H3,(H,22,26)(H,24,27)
InChIKeyWDOVTEPLVMFTRQ-UHFFFAOYSA-N
XLogP2.80
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
The IUPAC name of 2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide (CID 23723477) is 2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide.
What is the SMILES notation for 2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
The canonical SMILES for 2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide is CC(=O)NCC(=O)NC1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
The InChIKey is WDOVTEPLVMFTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14(26)22-13-20(27)24-18-6-5-7-19-17(18)12-23-25(19)16-10-8-15(9-11-16)21(2,3)4/h8-12,18H,5-7,13H2,1-4H3,(H,22,26)(H,24,27).
What are the key properties of 2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide is sourced from PubChem (CID 23723477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).