N-cyclohexyl-2-phenyl-2-(2-phenylindazol-3-yl)acetamide

C27H27N3O — CID 45110383

IUPACN-cyclohexyl-2-phenyl-2-(2-phenylindazol-3-yl)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)c1c2ccccc2nn1-c1ccccc1
InChIInChI=1S/C27H27N3O/c31-27(28-21-14-6-2-7-15-21)25(20-12-4-1-5-13-20)26-23-18-10-11-19-24(23)29-30(26)22-16-8-3-9-17-22/h1,3-5,8-13,16-19,21,25H,2,6-7,14-15H2,(H,28,31)
InChIKeyGWJKYEUJUZZKQV-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.61
Rot. Bonds5

About N-cyclohexyl-2-phenyl-2-(2-phenylindazol-3-yl)acetamide

N-cyclohexyl-2-phenyl-2-(2-phenylindazol-3-yl)acetamide (PubChem CID 45110383) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is N-cyclohexyl-2-phenyl-2-(2-phenylindazol-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-phenyl-2-(2-phenylindazol-3-yl)acetamide
PubChem CID45110383
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC NameN-cyclohexyl-2-phenyl-2-(2-phenylindazol-3-yl)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)c1c2ccccc2nn1-c1ccccc1
InChIInChI=1S/C27H27N3O/c31-27(28-21-14-6-2-7-15-21)25(20-12-4-1-5-13-20)26-23-18-10-11-19-24(23)29-30(26)22-16-8-3-9-17-22/h1,3-5,8-13,16-19,21,25H,2,6-7,14-15H2,(H,28,31)
InChIKeyGWJKYEUJUZZKQV-UHFFFAOYSA-N
XLogP5.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-2-phenyl-2-(2-phenylindazol-3-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-cyclohexyl-2-phenyl-2-(2-phenylindazol-3-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-phenyl-2-(2-phenylindazol-3-yl)acetamide (CID 45110383) is N-cyclohexyl-2-phenyl-2-(2-phenylindazol-3-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-phenyl-2-(2-phenylindazol-3-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-phenyl-2-(2-phenylindazol-3-yl)acetamide is O=C(NC1CCCCC1)C(c1ccccc1)c1c2ccccc2nn1-c1ccccc1.
What is the InChIKey of N-cyclohexyl-2-phenyl-2-(2-phenylindazol-3-yl)acetamide?
The InChIKey is GWJKYEUJUZZKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O/c31-27(28-21-14-6-2-7-15-21)25(20-12-4-1-5-13-20)26-23-18-10-11-19-24(23)29-30(26)22-16-8-3-9-17-22/h1,3-5,8-13,16-19,21,25H,2,6-7,14-15H2,(H,28,31).
What are the key properties of N-cyclohexyl-2-phenyl-2-(2-phenylindazol-3-yl)acetamide?
N-cyclohexyl-2-phenyl-2-(2-phenylindazol-3-yl)acetamide has a molecular weight of 409.53 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-phenyl-2-(2-phenylindazol-3-yl)acetamide is sourced from PubChem (CID 45110383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).