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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Related Compounds

2-(4-oxo-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 26288888
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CID 86930614
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623
N-(2-methyl-5-propan-2-ylphenyl)-2-sulfanylacetamide
CID 21131547
4-methyl-3-[[2-(2-oxopiperidin-1-yl)acetyl]amino]-N-propylbenzamide
CID 131943171
1-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)propan-1-one
CID 12822785
N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689876
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689940
N-(5-amino-2-methylphenyl)-2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)acetamide
CID 104510900
N-(6-chloro-4-methyl-3-pyridinyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113262958
N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43376211
N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 16794654

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).