2-(1-adamantyl)-N-(3-methoxy-2-methylphenyl)acetamide

C20H27NO2 — CID 20660020

IUPAC2-(1-adamantyl)-N-(3-methoxy-2-methylphenyl)acetamide
SMILESCOc1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1C
InChIInChI=1S/C20H27NO2/c1-13-17(4-3-5-18(13)23-2)21-19(22)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,14-16H,6-12H2,1-2H3,(H,21,22)
InChIKeyHMFZJPXGIJLMTJ-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.55
Rot. Bonds4

About 2-(1-adamantyl)-N-(3-methoxy-2-methylphenyl)acetamide

2-(1-adamantyl)-N-(3-methoxy-2-methylphenyl)acetamide (PubChem CID 20660020) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(3-methoxy-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(3-methoxy-2-methylphenyl)acetamide
PubChem CID20660020
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name2-(1-adamantyl)-N-(3-methoxy-2-methylphenyl)acetamide
SMILESCOc1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1C
InChIInChI=1S/C20H27NO2/c1-13-17(4-3-5-18(13)23-2)21-19(22)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,14-16H,6-12H2,1-2H3,(H,21,22)
InChIKeyHMFZJPXGIJLMTJ-UHFFFAOYSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(3-methoxy-2-methylphenyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(3-methoxy-2-methylphenyl)acetamide (CID 20660020) is 2-(1-adamantyl)-N-(3-methoxy-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(3-methoxy-2-methylphenyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(3-methoxy-2-methylphenyl)acetamide is COc1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1C.
What is the InChIKey of 2-(1-adamantyl)-N-(3-methoxy-2-methylphenyl)acetamide?
The InChIKey is HMFZJPXGIJLMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-13-17(4-3-5-18(13)23-2)21-19(22)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,14-16H,6-12H2,1-2H3,(H,21,22).
What are the key properties of 2-(1-adamantyl)-N-(3-methoxy-2-methylphenyl)acetamide?
2-(1-adamantyl)-N-(3-methoxy-2-methylphenyl)acetamide has a molecular weight of 313.44 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(3-methoxy-2-methylphenyl)acetamide is sourced from PubChem (CID 20660020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).