2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

C15H24N2O — CID 79270895

IUPAC2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESC#CCNCC(=O)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H24N2O/c1-5-8-16-10-12(18)17-13-14(2,3)11-6-7-15(13,4)9-11/h1,11,13,16H,6-10H2,2-4H3,(H,17,18)
InChIKeyVJNGLYFBPFPHEF-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.54
Rot. Bonds4

About 2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 79270895) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID79270895
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESC#CCNCC(=O)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H24N2O/c1-5-8-16-10-12(18)17-13-14(2,3)11-6-7-15(13,4)9-11/h1,11,13,16H,6-10H2,2-4H3,(H,17,18)
InChIKeyVJNGLYFBPFPHEF-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 79270895) is 2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is C#CCNCC(=O)NC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is VJNGLYFBPFPHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-8-16-10-12(18)17-13-14(2,3)11-6-7-15(13,4)9-11/h1,11,13,16H,6-10H2,2-4H3,(H,17,18).
What are the key properties of 2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 248.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-ynylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 79270895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).