N-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-(2-oxoazetidin-1-yl)acetamide

C20H24N2O2 — CID 122376556

IUPACN-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-(2-oxoazetidin-1-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCC2=O)c2c(C)ccc(C(C)C)cc1-2
InChIInChI=1S/C20H24N2O2/c1-12(2)15-6-5-13(3)20-16(10-15)14(4)9-17(20)21-18(23)11-22-8-7-19(22)24/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,21,23)
InChIKeyWGHMOLCJOYFMAZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.70
Rot. Bonds4

About N-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-(2-oxoazetidin-1-yl)acetamide

N-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-(2-oxoazetidin-1-yl)acetamide (PubChem CID 122376556) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-(2-oxoazetidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-(2-oxoazetidin-1-yl)acetamide
PubChem CID122376556
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-(2-oxoazetidin-1-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCC2=O)c2c(C)ccc(C(C)C)cc1-2
InChIInChI=1S/C20H24N2O2/c1-12(2)15-6-5-13(3)20-16(10-15)14(4)9-17(20)21-18(23)11-22-8-7-19(22)24/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,21,23)
InChIKeyWGHMOLCJOYFMAZ-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-(2-oxoazetidin-1-yl)acetamide?
The IUPAC name of N-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-(2-oxoazetidin-1-yl)acetamide (CID 122376556) is N-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-(2-oxoazetidin-1-yl)acetamide.
What is the SMILES notation for N-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-(2-oxoazetidin-1-yl)acetamide?
The canonical SMILES for N-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-(2-oxoazetidin-1-yl)acetamide is Cc1cc(NC(=O)CN2CCC2=O)c2c(C)ccc(C(C)C)cc1-2.
What is the InChIKey of N-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-(2-oxoazetidin-1-yl)acetamide?
The InChIKey is WGHMOLCJOYFMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-12(2)15-6-5-13(3)20-16(10-15)14(4)9-17(20)21-18(23)11-22-8-7-19(22)24/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,21,23).
What are the key properties of N-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-(2-oxoazetidin-1-yl)acetamide?
N-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-(2-oxoazetidin-1-yl)acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-(2-oxoazetidin-1-yl)acetamide is sourced from PubChem (CID 122376556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).