2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)acetamide

C16H21NO — CID 6624511

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CC2CC3CCC2C3)c1
InChIInChI=1S/C16H21NO/c1-11-3-2-4-15(7-11)17-16(18)10-14-9-12-5-6-13(14)8-12/h2-4,7,12-14H,5-6,8-10H2,1H3,(H,17,18)
InChIKeyONGDSYCLJCENFF-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.76
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)acetamide (PubChem CID 6624511) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)acetamide
PubChem CID6624511
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CC2CC3CCC2C3)c1
InChIInChI=1S/C16H21NO/c1-11-3-2-4-15(7-11)17-16(18)10-14-9-12-5-6-13(14)8-12/h2-4,7,12-14H,5-6,8-10H2,1H3,(H,17,18)
InChIKeyONGDSYCLJCENFF-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)acetamide (CID 6624511) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CC2CC3CCC2C3)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)acetamide?
The InChIKey is ONGDSYCLJCENFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11-3-2-4-15(7-11)17-16(18)10-14-9-12-5-6-13(14)8-12/h2-4,7,12-14H,5-6,8-10H2,1H3,(H,17,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)acetamide has a molecular weight of 243.35 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 6624511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).