N-(2-adamantyl)butanamide

C14H23NO — CID 894015

IUPACN-(2-adamantyl)butanamide
SMILESCCCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23NO/c1-2-3-13(16)15-14-11-5-9-4-10(7-11)8-12(14)6-9/h9-12,14H,2-8H2,1H3,(H,15,16)
InChIKeyJXWBUSRFJZZEDB-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.73
Rot. Bonds3

About N-(2-adamantyl)butanamide

N-(2-adamantyl)butanamide (PubChem CID 894015) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(2-adamantyl)butanamide.

Molecular Properties

Compound NameN-(2-adamantyl)butanamide
PubChem CID894015
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(2-adamantyl)butanamide
SMILESCCCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23NO/c1-2-3-13(16)15-14-11-5-9-4-10(7-11)8-12(14)6-9/h9-12,14H,2-8H2,1H3,(H,15,16)
InChIKeyJXWBUSRFJZZEDB-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)butanamide?
The IUPAC name of N-(2-adamantyl)butanamide (CID 894015) is N-(2-adamantyl)butanamide.
What is the SMILES notation for N-(2-adamantyl)butanamide?
The canonical SMILES for N-(2-adamantyl)butanamide is CCCC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)butanamide?
The InChIKey is JXWBUSRFJZZEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-13(16)15-14-11-5-9-4-10(7-11)8-12(14)6-9/h9-12,14H,2-8H2,1H3,(H,15,16).
What are the key properties of N-(2-adamantyl)butanamide?
N-(2-adamantyl)butanamide has a molecular weight of 221.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)butanamide is sourced from PubChem (CID 894015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).