N-(4-acetamidophenyl)-2-(1-adamantyl)acetamide

C20H26N2O2 — CID 3955294

IUPACN-(4-acetamidophenyl)-2-(1-adamantyl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H26N2O2/c1-13(23)21-17-2-4-18(5-3-17)22-19(24)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,14-16H,6-12H2,1H3,(H,21,23)(H,22,24)
InChIKeySDSILJUOFGDETE-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.19
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(1-adamantyl)acetamide

N-(4-acetamidophenyl)-2-(1-adamantyl)acetamide (PubChem CID 3955294) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(1-adamantyl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(1-adamantyl)acetamide
PubChem CID3955294
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(4-acetamidophenyl)-2-(1-adamantyl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H26N2O2/c1-13(23)21-17-2-4-18(5-3-17)22-19(24)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,14-16H,6-12H2,1H3,(H,21,23)(H,22,24)
InChIKeySDSILJUOFGDETE-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(1-adamantyl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(1-adamantyl)acetamide (CID 3955294) is N-(4-acetamidophenyl)-2-(1-adamantyl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(1-adamantyl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(1-adamantyl)acetamide is CC(=O)Nc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(1-adamantyl)acetamide?
The InChIKey is SDSILJUOFGDETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13(23)21-17-2-4-18(5-3-17)22-19(24)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,14-16H,6-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-acetamidophenyl)-2-(1-adamantyl)acetamide?
N-(4-acetamidophenyl)-2-(1-adamantyl)acetamide has a molecular weight of 326.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(1-adamantyl)acetamide is sourced from PubChem (CID 3955294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).