N-(2-adamantyl)-2-methylpropanamide

C14H23NO — CID 885956

IUPACN-(2-adamantyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23NO/c1-8(2)14(16)15-13-11-4-9-3-10(6-11)7-12(13)5-9/h8-13H,3-7H2,1-2H3,(H,15,16)
InChIKeyUIDAHABSCBZRLG-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.58
Rot. Bonds2

About N-(2-adamantyl)-2-methylpropanamide

N-(2-adamantyl)-2-methylpropanamide (PubChem CID 885956) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(2-adamantyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-methylpropanamide
PubChem CID885956
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(2-adamantyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23NO/c1-8(2)14(16)15-13-11-4-9-3-10(6-11)7-12(13)5-9/h8-13H,3-7H2,1-2H3,(H,15,16)
InChIKeyUIDAHABSCBZRLG-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-methylpropanamide?
The IUPAC name of N-(2-adamantyl)-2-methylpropanamide (CID 885956) is N-(2-adamantyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-adamantyl)-2-methylpropanamide?
The canonical SMILES for N-(2-adamantyl)-2-methylpropanamide is CC(C)C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-methylpropanamide?
The InChIKey is UIDAHABSCBZRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-8(2)14(16)15-13-11-4-9-3-10(6-11)7-12(13)5-9/h8-13H,3-7H2,1-2H3,(H,15,16).
What are the key properties of N-(2-adamantyl)-2-methylpropanamide?
N-(2-adamantyl)-2-methylpropanamide has a molecular weight of 221.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-methylpropanamide is sourced from PubChem (CID 885956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).