N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide

C22H25N3O — CID 20877585

IUPACN-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide
SMILESCC1CCC(NC(=O)Cn2nc(-c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C22H25N3O/c1-16-11-13-18(14-12-16)23-21(26)15-25-20-10-6-5-9-19(20)22(24-25)17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H,23,26)
InChIKeyTVLSMBAXXQCPTN-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.40
Rot. Bonds4

About N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide

N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide (PubChem CID 20877585) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide
PubChem CID20877585
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide
SMILESCC1CCC(NC(=O)Cn2nc(-c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C22H25N3O/c1-16-11-13-18(14-12-16)23-21(26)15-25-20-10-6-5-9-19(20)22(24-25)17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H,23,26)
InChIKeyTVLSMBAXXQCPTN-UHFFFAOYSA-N
XLogP4.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide (CID 20877585) is N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide is CC1CCC(NC(=O)Cn2nc(-c3ccccc3)c3ccccc32)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide?
The InChIKey is TVLSMBAXXQCPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-11-13-18(14-12-16)23-21(26)15-25-20-10-6-5-9-19(20)22(24-25)17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H,23,26).
What are the key properties of N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide?
N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide is sourced from PubChem (CID 20877585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).