N-[(2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide

C17H23NO — CID 11840103

IUPACN-[(2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide
SMILESC[C@@H]1C(NC(=O)c2ccccc2)CC2CC1C2(C)C
InChIInChI=1S/C17H23NO/c1-11-14-9-13(17(14,2)3)10-15(11)18-16(19)12-7-5-4-6-8-12/h4-8,11,13-15H,9-10H2,1-3H3,(H,18,19)/t11-,13?,14?,15?/m0/s1
InChIKeyUYWLHAPTZKHACA-WXPVAWKNSA-N
MW257.38 g/mol
LogP3.49
Rot. Bonds2

About N-[(2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide

N-[(2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide (PubChem CID 11840103) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide
PubChem CID11840103
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[(2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide
SMILESC[C@@H]1C(NC(=O)c2ccccc2)CC2CC1C2(C)C
InChIInChI=1S/C17H23NO/c1-11-14-9-13(17(14,2)3)10-15(11)18-16(19)12-7-5-4-6-8-12/h4-8,11,13-15H,9-10H2,1-3H3,(H,18,19)/t11-,13?,14?,15?/m0/s1
InChIKeyUYWLHAPTZKHACA-WXPVAWKNSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide 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-[(2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide?
The IUPAC name of N-[(2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide (CID 11840103) is N-[(2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide.
What is the SMILES notation for N-[(2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide?
The canonical SMILES for N-[(2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide is C[C@@H]1C(NC(=O)c2ccccc2)CC2CC1C2(C)C.
What is the InChIKey of N-[(2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide?
The InChIKey is UYWLHAPTZKHACA-WXPVAWKNSA-N. The full InChI is InChI=1S/C17H23NO/c1-11-14-9-13(17(14,2)3)10-15(11)18-16(19)12-7-5-4-6-8-12/h4-8,11,13-15H,9-10H2,1-3H3,(H,18,19)/t11-,13?,14?,15?/m0/s1.
What are the key properties of N-[(2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide?
N-[(2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide has a molecular weight of 257.38 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide is sourced from PubChem (CID 11840103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).