2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide

C13H23NO2 — CID 98679471

IUPAC2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C13H23NO2/c1-9(8-16-2)14-13(15)7-12-6-10-3-4-11(12)5-10/h9-12H,3-8H2,1-2H3,(H,14,15)/t9-,10-,11-,12-/m0/s1
InChIKeyQACOMNFCOODBQH-BJDJZHNGSA-N
MW225.33 g/mol
LogP1.96
Rot. Bonds5

About 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide (PubChem CID 98679471) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
PubChem CID98679471
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C13H23NO2/c1-9(8-16-2)14-13(15)7-12-6-10-3-4-11(12)5-10/h9-12H,3-8H2,1-2H3,(H,14,15)/t9-,10-,11-,12-/m0/s1
InChIKeyQACOMNFCOODBQH-BJDJZHNGSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide with MolForge

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Related Compounds

2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 98679474
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799359
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide
CID 114211440
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-bromo-3-methoxypropyl)acetamide
CID 114310041
1-(2-bicyclo[2.2.1]heptanyl)-5-methoxy-4-methylpentan-2-one
CID 105116960
N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 106242862
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide
CID 106245316
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide
CID 114305540
(2S)-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-methylpentanoic acid
CID 61155175
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide
CID 63931263
2-[2-[2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 21175593
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide
CID 55137320

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide (CID 98679471) is 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide is COC[C@H](C)NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The InChIKey is QACOMNFCOODBQH-BJDJZHNGSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(8-16-2)14-13(15)7-12-6-10-3-4-11(12)5-10/h9-12H,3-8H2,1-2H3,(H,14,15)/t9-,10-,11-,12-/m0/s1.
What are the key properties of 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide has a molecular weight of 225.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 98679471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).