N-cyclohexyladamantane-1-carboxamide

C17H27NO — CID 3452412

IUPACN-cyclohexyladamantane-1-carboxamide
SMILESO=C(NC1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO/c19-16(18-15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H,18,19)
InChIKeyAGHAGPWZIKDXLP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.65
Rot. Bonds2

About N-cyclohexyladamantane-1-carboxamide

N-cyclohexyladamantane-1-carboxamide (PubChem CID 3452412) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-cyclohexyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyladamantane-1-carboxamide
PubChem CID3452412
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-cyclohexyladamantane-1-carboxamide
SMILESO=C(NC1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO/c19-16(18-15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H,18,19)
InChIKeyAGHAGPWZIKDXLP-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyladamantane-1-carboxamide?
The IUPAC name of N-cyclohexyladamantane-1-carboxamide (CID 3452412) is N-cyclohexyladamantane-1-carboxamide.
What is the SMILES notation for N-cyclohexyladamantane-1-carboxamide?
The canonical SMILES for N-cyclohexyladamantane-1-carboxamide is O=C(NC1CCCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-cyclohexyladamantane-1-carboxamide?
The InChIKey is AGHAGPWZIKDXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c19-16(18-15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H,18,19).
What are the key properties of N-cyclohexyladamantane-1-carboxamide?
N-cyclohexyladamantane-1-carboxamide has a molecular weight of 261.41 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyladamantane-1-carboxamide is sourced from PubChem (CID 3452412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).