2-(2-bicyclo[2.2.1]heptanyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)acetamide

C19H25NO2 — CID 51211948

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCC1COc2ccccc2C1
InChIInChI=1S/C19H25NO2/c21-19(10-17-8-13-5-6-15(17)7-13)20-11-14-9-16-3-1-2-4-18(16)22-12-14/h1-4,13-15,17H,5-12H2,(H,20,21)
InChIKeyVGRQGVMQAXFHDL-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.18
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)acetamide (PubChem CID 51211948) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)acetamide
PubChem CID51211948
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCC1COc2ccccc2C1
InChIInChI=1S/C19H25NO2/c21-19(10-17-8-13-5-6-15(17)7-13)20-11-14-9-16-3-1-2-4-18(16)22-12-14/h1-4,13-15,17H,5-12H2,(H,20,21)
InChIKeyVGRQGVMQAXFHDL-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)acetamide (CID 51211948) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)acetamide is O=C(CC1CC2CCC1C2)NCC1COc2ccccc2C1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)acetamide?
The InChIKey is VGRQGVMQAXFHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c21-19(10-17-8-13-5-6-15(17)7-13)20-11-14-9-16-3-1-2-4-18(16)22-12-14/h1-4,13-15,17H,5-12H2,(H,20,21).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)acetamide has a molecular weight of 299.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)acetamide is sourced from PubChem (CID 51211948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).