adamantane-1,3-dicarboxamide

C12H18N2O2 — CID 721756

IUPACadamantane-1,3-dicarboxamide
SMILESNC(=O)C12CC3CC(C1)CC(C(N)=O)(C3)C2
InChIInChI=1S/C12H18N2O2/c13-9(15)11-2-7-1-8(4-11)5-12(3-7,6-11)10(14)16/h7-8H,1-6H2,(H2,13,15)(H2,14,16)
InChIKeyFVMNWHMVTYBYGW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.54
Rot. Bonds2

About adamantane-1,3-dicarboxamide

adamantane-1,3-dicarboxamide (PubChem CID 721756) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is adamantane-1,3-dicarboxamide.

Molecular Properties

Compound Nameadamantane-1,3-dicarboxamide
PubChem CID721756
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameadamantane-1,3-dicarboxamide
SMILESNC(=O)C12CC3CC(C1)CC(C(N)=O)(C3)C2
InChIInChI=1S/C12H18N2O2/c13-9(15)11-2-7-1-8(4-11)5-12(3-7,6-11)10(14)16/h7-8H,1-6H2,(H2,13,15)(H2,14,16)
InChIKeyFVMNWHMVTYBYGW-UHFFFAOYSA-N
XLogP0.54
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of adamantane-1,3-dicarboxamide?
The IUPAC name of adamantane-1,3-dicarboxamide (CID 721756) is adamantane-1,3-dicarboxamide.
What is the SMILES notation for adamantane-1,3-dicarboxamide?
The canonical SMILES for adamantane-1,3-dicarboxamide is NC(=O)C12CC3CC(C1)CC(C(N)=O)(C3)C2.
What is the InChIKey of adamantane-1,3-dicarboxamide?
The InChIKey is FVMNWHMVTYBYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-9(15)11-2-7-1-8(4-11)5-12(3-7,6-11)10(14)16/h7-8H,1-6H2,(H2,13,15)(H2,14,16).
What are the key properties of adamantane-1,3-dicarboxamide?
adamantane-1,3-dicarboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-1,3-dicarboxamide is sourced from PubChem (CID 721756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).