N-(2-bicyclo[2.2.1]heptanyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

C19H25NO2 — CID 133256716

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESO=C(COc1cccc2c1CCCC2)NC1CC2CCC1C2
InChIInChI=1S/C19H25NO2/c21-19(20-17-11-13-8-9-15(17)10-13)12-22-18-7-3-5-14-4-1-2-6-16(14)18/h3,5,7,13,15,17H,1-2,4,6,8-12H2,(H,20,21)
InChIKeyKNWAVSPCDDVJNP-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.25
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

N-(2-bicyclo[2.2.1]heptanyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (PubChem CID 133256716) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
PubChem CID133256716
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESO=C(COc1cccc2c1CCCC2)NC1CC2CCC1C2
InChIInChI=1S/C19H25NO2/c21-19(20-17-11-13-8-9-15(17)10-13)12-22-18-7-3-5-14-4-1-2-6-16(14)18/h3,5,7,13,15,17H,1-2,4,6,8-12H2,(H,20,21)
InChIKeyKNWAVSPCDDVJNP-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide
CID 880138
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methoxyphenoxy)acetamide
CID 124923600
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-methoxyphenoxy)acetamide
CID 3968254
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3-chlorophenoxy)acetamide
CID 98737694
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2,4-dichlorophenoxy)acetamide
CID 1338660
methyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate
CID 177236476
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenoxy)acetamide
CID 18555875
N-(2-bicyclo[2.2.1]heptanyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 133190091
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 125058906
N-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100747328
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100670206
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100569732

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (CID 133256716) is N-(2-bicyclo[2.2.1]heptanyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is O=C(COc1cccc2c1CCCC2)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The InChIKey is KNWAVSPCDDVJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c21-19(20-17-11-13-8-9-15(17)10-13)12-22-18-7-3-5-14-4-1-2-6-16(14)18/h3,5,7,13,15,17H,1-2,4,6,8-12H2,(H,20,21).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide has a molecular weight of 299.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is sourced from PubChem (CID 133256716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).