N-(1-adamantylmethyl)-2-methylpropanamide

C15H25NO — CID 4564924

IUPACN-(1-adamantylmethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-10(2)14(17)16-9-15-6-11-3-12(7-15)5-13(4-11)8-15/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyGYIRYSIUMWKVDD-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.97
Rot. Bonds3

About N-(1-adamantylmethyl)-2-methylpropanamide

N-(1-adamantylmethyl)-2-methylpropanamide (PubChem CID 4564924) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-methylpropanamide
PubChem CID4564924
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(1-adamantylmethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-10(2)14(17)16-9-15-6-11-3-12(7-15)5-13(4-11)8-15/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyGYIRYSIUMWKVDD-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-methylpropanamide?
The IUPAC name of N-(1-adamantylmethyl)-2-methylpropanamide (CID 4564924) is N-(1-adamantylmethyl)-2-methylpropanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-methylpropanamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-methylpropanamide is CC(C)C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-methylpropanamide?
The InChIKey is GYIRYSIUMWKVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(2)14(17)16-9-15-6-11-3-12(7-15)5-13(4-11)8-15/h10-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-(1-adamantylmethyl)-2-methylpropanamide?
N-(1-adamantylmethyl)-2-methylpropanamide has a molecular weight of 235.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-methylpropanamide is sourced from PubChem (CID 4564924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).