tert-butyl 3-methyl-3-(naphthalene-2-carbonyl)azetidine-1-carboxylate

C20H23NO3 — CID 168787887

IUPACtert-butyl 3-methyl-3-(naphthalene-2-carbonyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C)(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C20H23NO3/c1-19(2,3)24-18(23)21-12-20(4,13-21)17(22)16-10-9-14-7-5-6-8-15(14)11-16/h5-11H,12-13H2,1-4H3
InChIKeyPQEYPLXHFKTHQR-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.28
Rot. Bonds2

About tert-butyl 3-methyl-3-(naphthalene-2-carbonyl)azetidine-1-carboxylate

tert-butyl 3-methyl-3-(naphthalene-2-carbonyl)azetidine-1-carboxylate (PubChem CID 168787887) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl 3-methyl-3-(naphthalene-2-carbonyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-3-(naphthalene-2-carbonyl)azetidine-1-carboxylate
PubChem CID168787887
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nametert-butyl 3-methyl-3-(naphthalene-2-carbonyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C)(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C20H23NO3/c1-19(2,3)24-18(23)21-12-20(4,13-21)17(22)16-10-9-14-7-5-6-8-15(14)11-16/h5-11H,12-13H2,1-4H3
InChIKeyPQEYPLXHFKTHQR-UHFFFAOYSA-N
XLogP4.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-3-(naphthalene-2-carbonyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-3-(naphthalene-2-carbonyl)azetidine-1-carboxylate (CID 168787887) is tert-butyl 3-methyl-3-(naphthalene-2-carbonyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-3-(naphthalene-2-carbonyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-3-(naphthalene-2-carbonyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C)(C(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of tert-butyl 3-methyl-3-(naphthalene-2-carbonyl)azetidine-1-carboxylate?
The InChIKey is PQEYPLXHFKTHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-19(2,3)24-18(23)21-12-20(4,13-21)17(22)16-10-9-14-7-5-6-8-15(14)11-16/h5-11H,12-13H2,1-4H3.
What are the key properties of tert-butyl 3-methyl-3-(naphthalene-2-carbonyl)azetidine-1-carboxylate?
tert-butyl 3-methyl-3-(naphthalene-2-carbonyl)azetidine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-3-(naphthalene-2-carbonyl)azetidine-1-carboxylate is sourced from PubChem (CID 168787887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).