2-(2-formylphenoxy)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

C19H25NO3 — CID 24525991

IUPAC2-(2-formylphenoxy)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)COc1ccccc1C=O)C2
InChIInChI=1S/C19H25NO3/c1-18(2)14-8-9-19(18,3)16(10-14)20-17(22)12-23-15-7-5-4-6-13(15)11-21/h4-7,11,14,16H,8-10,12H2,1-3H3,(H,20,22)
InChIKeyJWNFJKMHUHQNKQ-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.21
Rot. Bonds5

About 2-(2-formylphenoxy)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

2-(2-formylphenoxy)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 24525991) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-(2-formylphenoxy)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2-(2-formylphenoxy)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID24525991
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-(2-formylphenoxy)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)COc1ccccc1C=O)C2
InChIInChI=1S/C19H25NO3/c1-18(2)14-8-9-19(18,3)16(10-14)20-17(22)12-23-15-7-5-4-6-13(15)11-21/h4-7,11,14,16H,8-10,12H2,1-3H3,(H,20,22)
InChIKeyJWNFJKMHUHQNKQ-UHFFFAOYSA-N
XLogP3.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-formylphenoxy)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2-(2-formylphenoxy)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 24525991) is 2-(2-formylphenoxy)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2-(2-formylphenoxy)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2-(2-formylphenoxy)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is CC1(C)C2CCC1(C)C(NC(=O)COc1ccccc1C=O)C2.
What is the InChIKey of 2-(2-formylphenoxy)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is JWNFJKMHUHQNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-18(2)14-8-9-19(18,3)16(10-14)20-17(22)12-23-15-7-5-4-6-13(15)11-21/h4-7,11,14,16H,8-10,12H2,1-3H3,(H,20,22).
What are the key properties of 2-(2-formylphenoxy)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
2-(2-formylphenoxy)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 315.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylphenoxy)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 24525991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).