N-tert-butyladamantane-1-carboxamide

C15H25NO — CID 2836044

IUPACN-tert-butyladamantane-1-carboxamide
SMILESCC(C)(C)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-14(2,3)16-13(17)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyCAZCIXGLKLMISO-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.12
Rot. Bonds1

About N-tert-butyladamantane-1-carboxamide

N-tert-butyladamantane-1-carboxamide (PubChem CID 2836044) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-tert-butyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyladamantane-1-carboxamide
PubChem CID2836044
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-tert-butyladamantane-1-carboxamide
SMILESCC(C)(C)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NO/c1-14(2,3)16-13(17)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyCAZCIXGLKLMISO-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyladamantane-1-carboxamide?
The IUPAC name of N-tert-butyladamantane-1-carboxamide (CID 2836044) is N-tert-butyladamantane-1-carboxamide.
What is the SMILES notation for N-tert-butyladamantane-1-carboxamide?
The canonical SMILES for N-tert-butyladamantane-1-carboxamide is CC(C)(C)NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-tert-butyladamantane-1-carboxamide?
The InChIKey is CAZCIXGLKLMISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14(2,3)16-13(17)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of N-tert-butyladamantane-1-carboxamide?
N-tert-butyladamantane-1-carboxamide has a molecular weight of 235.37 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyladamantane-1-carboxamide is sourced from PubChem (CID 2836044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).