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

C26H30N4O2 — CID 24790169

IUPAC3-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C26H30N4O2/c1-17(31)28-20-8-5-7-18(15-20)25(32)29-23-9-6-10-24-22(23)16-27-30(24)21-13-11-19(12-14-21)26(2,3)4/h5,7-8,11-16,23H,6,9-10H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyITOPTOBYTMXCEV-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.94
Rot. Bonds4

About 3-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide

3-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide (PubChem CID 24790169) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
PubChem CID24790169
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name3-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C26H30N4O2/c1-17(31)28-20-8-5-7-18(15-20)25(32)29-23-9-6-10-24-22(23)16-27-30(24)21-13-11-19(12-14-21)26(2,3)4/h5,7-8,11-16,23H,6,9-10H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyITOPTOBYTMXCEV-UHFFFAOYSA-N
XLogP4.94
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
The IUPAC name of 3-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide (CID 24790169) is 3-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide.
What is the SMILES notation for 3-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
The canonical SMILES for 3-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide is CC(=O)Nc1cccc(C(=O)NC2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 3-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
The InChIKey is ITOPTOBYTMXCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-17(31)28-20-8-5-7-18(15-20)25(32)29-23-9-6-10-24-22(23)16-27-30(24)21-13-11-19(12-14-21)26(2,3)4/h5,7-8,11-16,23H,6,9-10H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of 3-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
3-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide has a molecular weight of 430.55 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide is sourced from PubChem (CID 24790169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).