4-amino-N-methoxyadamantane-1-carboxamide

C12H20N2O2 — CID 88539562

IUPAC4-amino-N-methoxyadamantane-1-carboxamide
SMILESCONC(=O)C12CC3CC(C1)C(N)C(C3)C2
InChIInChI=1S/C12H20N2O2/c1-16-14-11(15)12-4-7-2-8(5-12)10(13)9(3-7)6-12/h7-10H,2-6,13H2,1H3,(H,14,15)
InChIKeyYCJANJFLLSOFMN-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.82
Rot. Bonds2

About 4-amino-N-methoxyadamantane-1-carboxamide

4-amino-N-methoxyadamantane-1-carboxamide (PubChem CID 88539562) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-amino-N-methoxyadamantane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-methoxyadamantane-1-carboxamide
PubChem CID88539562
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-amino-N-methoxyadamantane-1-carboxamide
SMILESCONC(=O)C12CC3CC(C1)C(N)C(C3)C2
InChIInChI=1S/C12H20N2O2/c1-16-14-11(15)12-4-7-2-8(5-12)10(13)9(3-7)6-12/h7-10H,2-6,13H2,1H3,(H,14,15)
InChIKeyYCJANJFLLSOFMN-UHFFFAOYSA-N
XLogP0.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methoxyadamantane-1-carboxamide?
The IUPAC name of 4-amino-N-methoxyadamantane-1-carboxamide (CID 88539562) is 4-amino-N-methoxyadamantane-1-carboxamide.
What is the SMILES notation for 4-amino-N-methoxyadamantane-1-carboxamide?
The canonical SMILES for 4-amino-N-methoxyadamantane-1-carboxamide is CONC(=O)C12CC3CC(C1)C(N)C(C3)C2.
What is the InChIKey of 4-amino-N-methoxyadamantane-1-carboxamide?
The InChIKey is YCJANJFLLSOFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-16-14-11(15)12-4-7-2-8(5-12)10(13)9(3-7)6-12/h7-10H,2-6,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-methoxyadamantane-1-carboxamide?
4-amino-N-methoxyadamantane-1-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methoxyadamantane-1-carboxamide is sourced from PubChem (CID 88539562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).