3,5,7-trimethyladamantane-1-carboxamide

C14H23NO — CID 2834336

IUPAC3,5,7-trimethyladamantane-1-carboxamide
SMILESCC12CC3(C)CC(C)(C1)CC(C(N)=O)(C2)C3
InChIInChI=1S/C14H23NO/c1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)10(15)16/h4-9H2,1-3H3,(H2,15,16)
InChIKeyQOKWEJPAMBATIO-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.86
Rot. Bonds1

About 3,5,7-trimethyladamantane-1-carboxamide

3,5,7-trimethyladamantane-1-carboxamide (PubChem CID 2834336) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3,5,7-trimethyladamantane-1-carboxamide.

Molecular Properties

Compound Name3,5,7-trimethyladamantane-1-carboxamide
PubChem CID2834336
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3,5,7-trimethyladamantane-1-carboxamide
SMILESCC12CC3(C)CC(C)(C1)CC(C(N)=O)(C2)C3
InChIInChI=1S/C14H23NO/c1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)10(15)16/h4-9H2,1-3H3,(H2,15,16)
InChIKeyQOKWEJPAMBATIO-UHFFFAOYSA-N
XLogP2.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyladamantane-1-carboxamide?
The IUPAC name of 3,5,7-trimethyladamantane-1-carboxamide (CID 2834336) is 3,5,7-trimethyladamantane-1-carboxamide.
What is the SMILES notation for 3,5,7-trimethyladamantane-1-carboxamide?
The canonical SMILES for 3,5,7-trimethyladamantane-1-carboxamide is CC12CC3(C)CC(C)(C1)CC(C(N)=O)(C2)C3.
What is the InChIKey of 3,5,7-trimethyladamantane-1-carboxamide?
The InChIKey is QOKWEJPAMBATIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)10(15)16/h4-9H2,1-3H3,(H2,15,16).
What are the key properties of 3,5,7-trimethyladamantane-1-carboxamide?
3,5,7-trimethyladamantane-1-carboxamide has a molecular weight of 221.34 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyladamantane-1-carboxamide is sourced from PubChem (CID 2834336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).