2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide

C14H22N2O — CID 63931263

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide
SMILESCC(C)C(C#N)NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H22N2O/c1-9(2)13(8-15)16-14(17)7-12-6-10-3-4-11(12)5-10/h9-13H,3-7H2,1-2H3,(H,16,17)
InChIKeyMSCGHOATIGJLLR-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.48
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide (PubChem CID 63931263) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide
PubChem CID63931263
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide
SMILESCC(C)C(C#N)NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H22N2O/c1-9(2)13(8-15)16-14(17)7-12-6-10-3-4-11(12)5-10/h9-13H,3-7H2,1-2H3,(H,16,17)
InChIKeyMSCGHOATIGJLLR-UHFFFAOYSA-N
XLogP2.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide
CID 55137320
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide
CID 114305540
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 98679471
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 98679474
2-[(2R)-2-bicyclo[2.2.1]heptanyl]-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]acetamide
CID 58363507
(2S)-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-methylpentanoic acid
CID 61155175
2-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]propanedinitrile
CID 112732099
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941108
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide
CID 55209376
2-[2-[2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 21175593
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid
CID 43630318
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 55576995

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide (CID 63931263) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide is CC(C)C(C#N)NC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide?
The InChIKey is MSCGHOATIGJLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9(2)13(8-15)16-14(17)7-12-6-10-3-4-11(12)5-10/h9-13H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide has a molecular weight of 234.34 g/mol, XLogP of 2.48, 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-(1-cyano-2-methylpropyl)acetamide is sourced from PubChem (CID 63931263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).