2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide

C14H21NO — CID 103708805

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide
SMILESC#CCCCNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H21NO/c1-2-3-4-7-15-14(16)10-13-9-11-5-6-12(13)8-11/h1,11-13H,3-10H2,(H,15,16)
InChIKeyXBUJVTWLFPWJDO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.34
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide (PubChem CID 103708805) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide
PubChem CID103708805
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide
SMILESC#CCCCNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H21NO/c1-2-3-4-7-15-14(16)10-13-9-11-5-6-12(13)8-11/h1,11-13H,3-10H2,(H,15,16)
InChIKeyXBUJVTWLFPWJDO-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide
CID 55209376
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromopropyl)acetamide
CID 43133583
2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
CID 78784658
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119499875
5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid
CID 113440686
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504552
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-(3-piperidin-4-yloxypropyl)acetamide
CID 63870947
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chlorocyclohexyl)methyl]acetamide
CID 106133993
2-[2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]ethoxy]acetic acid
CID 79469647
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56535016
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 18558210

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide (CID 103708805) is 2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide is C#CCCCNC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide?
The InChIKey is XBUJVTWLFPWJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-3-4-7-15-14(16)10-13-9-11-5-6-12(13)8-11/h1,11-13H,3-10H2,(H,15,16).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-pent-4-ynylacetamide has a molecular weight of 219.33 g/mol, XLogP of 2.34, 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-pent-4-ynylacetamide is sourced from PubChem (CID 103708805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).