3,5-dimethyladamantan-1-amine;N-(4-hydroxyphenyl)acetamide

C20H30N2O2 — CID 70289957

IUPAC3,5-dimethyladamantan-1-amine;N-(4-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(O)cc1.CC12CC3CC(C)(C1)CC(N)(C3)C2
InChIInChI=1S/C12H21N.C8H9NO2/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;1-6(10)9-7-2-4-8(11)5-3-7/h9H,3-8,13H2,1-2H3;2-5,11H,1H3,(H,9,10)
InChIKeyVIAWGJUQGMQILQ-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.04
Rot. Bonds1

About 3,5-dimethyladamantan-1-amine;N-(4-hydroxyphenyl)acetamide

3,5-dimethyladamantan-1-amine;N-(4-hydroxyphenyl)acetamide (PubChem CID 70289957) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3,5-dimethyladamantan-1-amine;N-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name3,5-dimethyladamantan-1-amine;N-(4-hydroxyphenyl)acetamide
PubChem CID70289957
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3,5-dimethyladamantan-1-amine;N-(4-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(O)cc1.CC12CC3CC(C)(C1)CC(N)(C3)C2
InChIInChI=1S/C12H21N.C8H9NO2/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;1-6(10)9-7-2-4-8(11)5-3-7/h9H,3-8,13H2,1-2H3;2-5,11H,1H3,(H,9,10)
InChIKeyVIAWGJUQGMQILQ-UHFFFAOYSA-N
XLogP4.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyladamantan-1-amine;N-(4-hydroxyphenyl)acetamide?
The IUPAC name of 3,5-dimethyladamantan-1-amine;N-(4-hydroxyphenyl)acetamide (CID 70289957) is 3,5-dimethyladamantan-1-amine;N-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for 3,5-dimethyladamantan-1-amine;N-(4-hydroxyphenyl)acetamide?
The canonical SMILES for 3,5-dimethyladamantan-1-amine;N-(4-hydroxyphenyl)acetamide is CC(=O)Nc1ccc(O)cc1.CC12CC3CC(C)(C1)CC(N)(C3)C2.
What is the InChIKey of 3,5-dimethyladamantan-1-amine;N-(4-hydroxyphenyl)acetamide?
The InChIKey is VIAWGJUQGMQILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.C8H9NO2/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;1-6(10)9-7-2-4-8(11)5-3-7/h9H,3-8,13H2,1-2H3;2-5,11H,1H3,(H,9,10).
What are the key properties of 3,5-dimethyladamantan-1-amine;N-(4-hydroxyphenyl)acetamide?
3,5-dimethyladamantan-1-amine;N-(4-hydroxyphenyl)acetamide has a molecular weight of 330.47 g/mol, XLogP of 4.04, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyladamantan-1-amine;N-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 70289957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).