N-(2-adamantyl)cyclohexanecarboxamide

C17H27NO — CID 891290

IUPACN-(2-adamantyl)cyclohexanecarboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1CCCCC1
InChIInChI=1S/C17H27NO/c19-17(13-4-2-1-3-5-13)18-16-14-7-11-6-12(9-14)10-15(16)8-11/h11-16H,1-10H2,(H,18,19)
InChIKeyPHXXNOOSGAGIII-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.51
Rot. Bonds2

About N-(2-adamantyl)cyclohexanecarboxamide

N-(2-adamantyl)cyclohexanecarboxamide (PubChem CID 891290) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(2-adamantyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)cyclohexanecarboxamide
PubChem CID891290
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(2-adamantyl)cyclohexanecarboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1CCCCC1
InChIInChI=1S/C17H27NO/c19-17(13-4-2-1-3-5-13)18-16-14-7-11-6-12(9-14)10-15(16)8-11/h11-16H,1-10H2,(H,18,19)
InChIKeyPHXXNOOSGAGIII-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-adamantyl)cyclohexanecarboxamide (CID 891290) is N-(2-adamantyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-adamantyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-adamantyl)cyclohexanecarboxamide is O=C(NC1C2CC3CC(C2)CC1C3)C1CCCCC1.
What is the InChIKey of N-(2-adamantyl)cyclohexanecarboxamide?
The InChIKey is PHXXNOOSGAGIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c19-17(13-4-2-1-3-5-13)18-16-14-7-11-6-12(9-14)10-15(16)8-11/h11-16H,1-10H2,(H,18,19).
What are the key properties of N-(2-adamantyl)cyclohexanecarboxamide?
N-(2-adamantyl)cyclohexanecarboxamide has a molecular weight of 261.41 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)cyclohexanecarboxamide is sourced from PubChem (CID 891290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).