3-(1-adamantyl)propanamide

C13H21NO — CID 15305078

IUPAC3-(1-adamantyl)propanamide
SMILESNC(=O)CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO/c14-12(15)1-2-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H2,14,15)
InChIKeyINDGPLUHGHLXKQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.47
Rot. Bonds3

About 3-(1-adamantyl)propanamide

3-(1-adamantyl)propanamide (PubChem CID 15305078) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(1-adamantyl)propanamide.

Molecular Properties

Compound Name3-(1-adamantyl)propanamide
PubChem CID15305078
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(1-adamantyl)propanamide
SMILESNC(=O)CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO/c14-12(15)1-2-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H2,14,15)
InChIKeyINDGPLUHGHLXKQ-UHFFFAOYSA-N
XLogP2.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(1-adamantyl)propanamide 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 3-(1-adamantyl)propanamide?
The IUPAC name of 3-(1-adamantyl)propanamide (CID 15305078) is 3-(1-adamantyl)propanamide.
What is the SMILES notation for 3-(1-adamantyl)propanamide?
The canonical SMILES for 3-(1-adamantyl)propanamide is NC(=O)CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantyl)propanamide?
The InChIKey is INDGPLUHGHLXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c14-12(15)1-2-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H2,14,15).
What are the key properties of 3-(1-adamantyl)propanamide?
3-(1-adamantyl)propanamide has a molecular weight of 207.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)propanamide is sourced from PubChem (CID 15305078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).