N-(1-adamantyl)propanamide

C13H21NO — CID 3675021

IUPACN-(1-adamantyl)propanamide
SMILESCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO/c1-2-12(15)14-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyUYCVEFJGZBHHKT-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.48
Rot. Bonds2

About N-(1-adamantyl)propanamide

N-(1-adamantyl)propanamide (PubChem CID 3675021) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(1-adamantyl)propanamide.

Molecular Properties

Compound NameN-(1-adamantyl)propanamide
PubChem CID3675021
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-(1-adamantyl)propanamide
SMILESCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO/c1-2-12(15)14-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyUYCVEFJGZBHHKT-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)propanamide?
The IUPAC name of N-(1-adamantyl)propanamide (CID 3675021) is N-(1-adamantyl)propanamide.
What is the SMILES notation for N-(1-adamantyl)propanamide?
The canonical SMILES for N-(1-adamantyl)propanamide is CCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)propanamide?
The InChIKey is UYCVEFJGZBHHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-12(15)14-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of N-(1-adamantyl)propanamide?
N-(1-adamantyl)propanamide has a molecular weight of 207.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)propanamide is sourced from PubChem (CID 3675021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).