2-(1-adamantyl)-N-[4-(2-amino-2-oxoethoxy)phenyl]acetamide

C20H26N2O3 — CID 4921011

IUPAC2-(1-adamantyl)-N-[4-(2-amino-2-oxoethoxy)phenyl]acetamide
SMILESNC(=O)COc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H26N2O3/c21-18(23)12-25-17-3-1-16(2-4-17)22-19(24)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2,(H2,21,23)(H,22,24)
InChIKeyXHGPOHTYLLFEJE-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.10
Rot. Bonds6

About 2-(1-adamantyl)-N-[4-(2-amino-2-oxoethoxy)phenyl]acetamide

2-(1-adamantyl)-N-[4-(2-amino-2-oxoethoxy)phenyl]acetamide (PubChem CID 4921011) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[4-(2-amino-2-oxoethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[4-(2-amino-2-oxoethoxy)phenyl]acetamide
PubChem CID4921011
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-(1-adamantyl)-N-[4-(2-amino-2-oxoethoxy)phenyl]acetamide
SMILESNC(=O)COc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H26N2O3/c21-18(23)12-25-17-3-1-16(2-4-17)22-19(24)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2,(H2,21,23)(H,22,24)
InChIKeyXHGPOHTYLLFEJE-UHFFFAOYSA-N
XLogP3.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[4-(2-amino-2-oxoethoxy)phenyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[4-(2-amino-2-oxoethoxy)phenyl]acetamide (CID 4921011) is 2-(1-adamantyl)-N-[4-(2-amino-2-oxoethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[4-(2-amino-2-oxoethoxy)phenyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[4-(2-amino-2-oxoethoxy)phenyl]acetamide is NC(=O)COc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-[4-(2-amino-2-oxoethoxy)phenyl]acetamide?
The InChIKey is XHGPOHTYLLFEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c21-18(23)12-25-17-3-1-16(2-4-17)22-19(24)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2,(H2,21,23)(H,22,24).
What are the key properties of 2-(1-adamantyl)-N-[4-(2-amino-2-oxoethoxy)phenyl]acetamide?
2-(1-adamantyl)-N-[4-(2-amino-2-oxoethoxy)phenyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[4-(2-amino-2-oxoethoxy)phenyl]acetamide is sourced from PubChem (CID 4921011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).