2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide

C14H19NO2 — CID 51160476

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCc1ccco1
InChIInChI=1S/C14H19NO2/c16-14(15-9-13-2-1-5-17-13)8-12-7-10-3-4-11(12)6-10/h1-2,5,10-12H,3-4,6-9H2,(H,15,16)
InChIKeyKIPJSDQJFNSNRE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.72
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 51160476) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID51160476
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCc1ccco1
InChIInChI=1S/C14H19NO2/c16-14(15-9-13-2-1-5-17-13)8-12-7-10-3-4-11(12)6-10/h1-2,5,10-12H,3-4,6-9H2,(H,15,16)
InChIKeyKIPJSDQJFNSNRE-UHFFFAOYSA-N
XLogP2.72
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47128746
N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7732664
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 9165301
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 110934362
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 79607925
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32602785
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 4810871
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 11938740
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11915183
N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 557216
N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 60971610

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide (CID 51160476) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide is O=C(CC1CC2CCC1C2)NCc1ccco1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is KIPJSDQJFNSNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(15-9-13-2-1-5-17-13)8-12-7-10-3-4-11(12)6-10/h1-2,5,10-12H,3-4,6-9H2,(H,15,16).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 233.31 g/mol, XLogP of 2.72, 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-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 51160476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).