N-[(1R,2R,4R,7S)-7-hydroxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-N-methylbenzamide

C18H25NO2 — CID 98199719

IUPACN-[(1R,2R,4R,7S)-7-hydroxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)[C@]1(C)[C@H]2CC[C@@H]([C@@H]2O)C1(C)C
InChIInChI=1S/C18H25NO2/c1-17(2)13-10-11-14(15(13)20)18(17,3)19(4)16(21)12-8-6-5-7-9-12/h5-9,13-15,20H,10-11H2,1-4H3/t13-,14-,15-,18+/m0/s1
InChIKeyBPZJRWIWBADIFD-YRBFXIGRSA-N
MW287.40 g/mol
LogP2.94
Rot. Bonds2

About N-[(1R,2R,4R,7S)-7-hydroxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-N-methylbenzamide

N-[(1R,2R,4R,7S)-7-hydroxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-N-methylbenzamide (PubChem CID 98199719) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[(1R,2R,4R,7S)-7-hydroxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1R,2R,4R,7S)-7-hydroxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-N-methylbenzamide
PubChem CID98199719
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[(1R,2R,4R,7S)-7-hydroxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)[C@]1(C)[C@H]2CC[C@@H]([C@@H]2O)C1(C)C
InChIInChI=1S/C18H25NO2/c1-17(2)13-10-11-14(15(13)20)18(17,3)19(4)16(21)12-8-6-5-7-9-12/h5-9,13-15,20H,10-11H2,1-4H3/t13-,14-,15-,18+/m0/s1
InChIKeyBPZJRWIWBADIFD-YRBFXIGRSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,2R,4R,7S)-7-hydroxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4R,7S)-7-hydroxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-N-methylbenzamide?
The IUPAC name of N-[(1R,2R,4R,7S)-7-hydroxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-N-methylbenzamide (CID 98199719) is N-[(1R,2R,4R,7S)-7-hydroxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-N-methylbenzamide.
What is the SMILES notation for N-[(1R,2R,4R,7S)-7-hydroxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-N-methylbenzamide?
The canonical SMILES for N-[(1R,2R,4R,7S)-7-hydroxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-N-methylbenzamide is CN(C(=O)c1ccccc1)[C@]1(C)[C@H]2CC[C@@H]([C@@H]2O)C1(C)C.
What is the InChIKey of N-[(1R,2R,4R,7S)-7-hydroxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-N-methylbenzamide?
The InChIKey is BPZJRWIWBADIFD-YRBFXIGRSA-N. The full InChI is InChI=1S/C18H25NO2/c1-17(2)13-10-11-14(15(13)20)18(17,3)19(4)16(21)12-8-6-5-7-9-12/h5-9,13-15,20H,10-11H2,1-4H3/t13-,14-,15-,18+/m0/s1.
What are the key properties of N-[(1R,2R,4R,7S)-7-hydroxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-N-methylbenzamide?
N-[(1R,2R,4R,7S)-7-hydroxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-N-methylbenzamide has a molecular weight of 287.40 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4R,7S)-7-hydroxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-N-methylbenzamide is sourced from PubChem (CID 98199719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).