2-cyclooctyl-4,4-dimethyl-1-(naphthalene-1-carbonyl)diazetidin-3-one

C23H28N2O2 — CID 46193990

IUPAC2-cyclooctyl-4,4-dimethyl-1-(naphthalene-1-carbonyl)diazetidin-3-one
SMILESCC1(C)C(=O)N(C2CCCCCCC2)N1C(=O)c1cccc2ccccc12
InChIInChI=1S/C23H28N2O2/c1-23(2)22(27)24(18-13-6-4-3-5-7-14-18)25(23)21(26)20-16-10-12-17-11-8-9-15-19(17)20/h8-12,15-16,18H,3-7,13-14H2,1-2H3
InChIKeyIXGMUHPALDIBBT-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.93
Rot. Bonds2

About 2-cyclooctyl-4,4-dimethyl-1-(naphthalene-1-carbonyl)diazetidin-3-one

2-cyclooctyl-4,4-dimethyl-1-(naphthalene-1-carbonyl)diazetidin-3-one (PubChem CID 46193990) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-cyclooctyl-4,4-dimethyl-1-(naphthalene-1-carbonyl)diazetidin-3-one.

Molecular Properties

Compound Name2-cyclooctyl-4,4-dimethyl-1-(naphthalene-1-carbonyl)diazetidin-3-one
PubChem CID46193990
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-cyclooctyl-4,4-dimethyl-1-(naphthalene-1-carbonyl)diazetidin-3-one
SMILESCC1(C)C(=O)N(C2CCCCCCC2)N1C(=O)c1cccc2ccccc12
InChIInChI=1S/C23H28N2O2/c1-23(2)22(27)24(18-13-6-4-3-5-7-14-18)25(23)21(26)20-16-10-12-17-11-8-9-15-19(17)20/h8-12,15-16,18H,3-7,13-14H2,1-2H3
InChIKeyIXGMUHPALDIBBT-UHFFFAOYSA-N
XLogP4.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-4,4-dimethyl-1-(naphthalene-1-carbonyl)diazetidin-3-one?
The IUPAC name of 2-cyclooctyl-4,4-dimethyl-1-(naphthalene-1-carbonyl)diazetidin-3-one (CID 46193990) is 2-cyclooctyl-4,4-dimethyl-1-(naphthalene-1-carbonyl)diazetidin-3-one.
What is the SMILES notation for 2-cyclooctyl-4,4-dimethyl-1-(naphthalene-1-carbonyl)diazetidin-3-one?
The canonical SMILES for 2-cyclooctyl-4,4-dimethyl-1-(naphthalene-1-carbonyl)diazetidin-3-one is CC1(C)C(=O)N(C2CCCCCCC2)N1C(=O)c1cccc2ccccc12.
What is the InChIKey of 2-cyclooctyl-4,4-dimethyl-1-(naphthalene-1-carbonyl)diazetidin-3-one?
The InChIKey is IXGMUHPALDIBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-23(2)22(27)24(18-13-6-4-3-5-7-14-18)25(23)21(26)20-16-10-12-17-11-8-9-15-19(17)20/h8-12,15-16,18H,3-7,13-14H2,1-2H3.
What are the key properties of 2-cyclooctyl-4,4-dimethyl-1-(naphthalene-1-carbonyl)diazetidin-3-one?
2-cyclooctyl-4,4-dimethyl-1-(naphthalene-1-carbonyl)diazetidin-3-one has a molecular weight of 364.49 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-4,4-dimethyl-1-(naphthalene-1-carbonyl)diazetidin-3-one is sourced from PubChem (CID 46193990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).