2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide

C13H23NO — CID 78784658

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
SMILESCCCCNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C13H23NO/c1-2-3-6-14-13(15)9-12-8-10-4-5-11(12)7-10/h10-12H,2-9H2,1H3,(H,14,15)
InChIKeyGILWRXKPFOBQCL-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.73
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide (PubChem CID 78784658) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
PubChem CID78784658
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
SMILESCCCCNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C13H23NO/c1-2-3-6-14-13(15)9-12-8-10-4-5-11(12)7-10/h10-12H,2-9H2,1H3,(H,14,15)
InChIKeyGILWRXKPFOBQCL-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide
CID 43133583
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504552
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119499875
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide
CID 55209376
2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide
CID 103708805
5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid
CID 113440686
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 54579772
2-(2-bicyclo[2.2.1]heptanyl)-N-[(2R)-2-hydroxybutyl]acetamide
CID 126836505
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-piperidin-4-yloxypropyl)acetamide
CID 63870947
2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid
CID 79469647
1-(2-bicyclo[2.2.1]heptanyl)-3-(propylamino)propan-2-one
CID 116562735
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 11923510

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide (CID 78784658) is 2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide is CCCCNC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide?
The InChIKey is GILWRXKPFOBQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-3-6-14-13(15)9-12-8-10-4-5-11(12)7-10/h10-12H,2-9H2,1H3,(H,14,15).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide has a molecular weight of 209.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide is sourced from PubChem (CID 78784658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).