(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylpropyl)azetidine-2-carboxylate

C23H33NO2 — CID 23303207

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylpropyl)azetidine-2-carboxylate
SMILESCCC(c1ccccc1)N1CCC1C(=O)OC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C23H33NO2/c1-5-18(16-9-7-6-8-10-16)24-14-12-19(24)21(25)26-20-15-17-11-13-23(20,4)22(17,2)3/h6-10,17-20H,5,11-15H2,1-4H3
InChIKeyHJPGCCUPUQCUBU-UHFFFAOYSA-N
MW355.52 g/mol
LogP4.97
Rot. Bonds5

About (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylpropyl)azetidine-2-carboxylate

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylpropyl)azetidine-2-carboxylate (PubChem CID 23303207) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylpropyl)azetidine-2-carboxylate.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylpropyl)azetidine-2-carboxylate
PubChem CID23303207
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylpropyl)azetidine-2-carboxylate
SMILESCCC(c1ccccc1)N1CCC1C(=O)OC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C23H33NO2/c1-5-18(16-9-7-6-8-10-16)24-14-12-19(24)21(25)26-20-15-17-11-13-23(20,4)22(17,2)3/h6-10,17-20H,5,11-15H2,1-4H3
InChIKeyHJPGCCUPUQCUBU-UHFFFAOYSA-N
XLogP4.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylpropyl)azetidine-2-carboxylate?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylpropyl)azetidine-2-carboxylate (CID 23303207) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylpropyl)azetidine-2-carboxylate.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylpropyl)azetidine-2-carboxylate?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylpropyl)azetidine-2-carboxylate is CCC(c1ccccc1)N1CCC1C(=O)OC1CC2CCC1(C)C2(C)C.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylpropyl)azetidine-2-carboxylate?
The InChIKey is HJPGCCUPUQCUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2/c1-5-18(16-9-7-6-8-10-16)24-14-12-19(24)21(25)26-20-15-17-11-13-23(20,4)22(17,2)3/h6-10,17-20H,5,11-15H2,1-4H3.
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylpropyl)azetidine-2-carboxylate?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylpropyl)azetidine-2-carboxylate has a molecular weight of 355.52 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylpropyl)azetidine-2-carboxylate is sourced from PubChem (CID 23303207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).