2-(2-adamantylidene)-N-(2,4-dihydroxyphenyl)acetamide

C18H21NO3 — CID 22733386

IUPAC2-(2-adamantylidene)-N-(2,4-dihydroxyphenyl)acetamide
SMILESO=C(C=C1C2CC3CC(C2)CC1C3)Nc1ccc(O)cc1O
InChIInChI=1S/C18H21NO3/c20-14-1-2-16(17(21)8-14)19-18(22)9-15-12-4-10-3-11(6-12)7-13(15)5-10/h1-2,8-13,20-21H,3-7H2,(H,19,22)/b15-9-
InChIKeyQGKPELNDXFFOQI-DHDCSXOGSA-N
MW299.37 g/mol
LogP3.42
Rot. Bonds2

About 2-(2-adamantylidene)-N-(2,4-dihydroxyphenyl)acetamide

2-(2-adamantylidene)-N-(2,4-dihydroxyphenyl)acetamide (PubChem CID 22733386) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(2-adamantylidene)-N-(2,4-dihydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-adamantylidene)-N-(2,4-dihydroxyphenyl)acetamide
PubChem CID22733386
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-(2-adamantylidene)-N-(2,4-dihydroxyphenyl)acetamide
SMILESO=C(C=C1C2CC3CC(C2)CC1C3)Nc1ccc(O)cc1O
InChIInChI=1S/C18H21NO3/c20-14-1-2-16(17(21)8-14)19-18(22)9-15-12-4-10-3-11(6-12)7-13(15)5-10/h1-2,8-13,20-21H,3-7H2,(H,19,22)/b15-9-
InChIKeyQGKPELNDXFFOQI-DHDCSXOGSA-N
XLogP3.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(2-adamantylidene)-N-(2,4-dihydroxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantylidene)-N-(2,4-dihydroxyphenyl)acetamide?
The IUPAC name of 2-(2-adamantylidene)-N-(2,4-dihydroxyphenyl)acetamide (CID 22733386) is 2-(2-adamantylidene)-N-(2,4-dihydroxyphenyl)acetamide.
What is the SMILES notation for 2-(2-adamantylidene)-N-(2,4-dihydroxyphenyl)acetamide?
The canonical SMILES for 2-(2-adamantylidene)-N-(2,4-dihydroxyphenyl)acetamide is O=C(C=C1C2CC3CC(C2)CC1C3)Nc1ccc(O)cc1O.
What is the InChIKey of 2-(2-adamantylidene)-N-(2,4-dihydroxyphenyl)acetamide?
The InChIKey is QGKPELNDXFFOQI-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H21NO3/c20-14-1-2-16(17(21)8-14)19-18(22)9-15-12-4-10-3-11(6-12)7-13(15)5-10/h1-2,8-13,20-21H,3-7H2,(H,19,22)/b15-9-.
What are the key properties of 2-(2-adamantylidene)-N-(2,4-dihydroxyphenyl)acetamide?
2-(2-adamantylidene)-N-(2,4-dihydroxyphenyl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantylidene)-N-(2,4-dihydroxyphenyl)acetamide is sourced from PubChem (CID 22733386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).