2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide

C20H27N3O2 — CID 35512081

IUPAC2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide
SMILESO=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCc1cccnc1
InChIInChI=1S/C20H27N3O2/c24-18(23-13-19(25)22-12-14-2-1-3-21-11-14)10-20-7-15-4-16(8-20)6-17(5-15)9-20/h1-3,11,15-17H,4-10,12-13H2,(H,22,25)(H,23,24)
InChIKeyAYSYANQCLARSJL-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.42
Rot. Bonds6

About 2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide

2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide (PubChem CID 35512081) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide
PubChem CID35512081
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide
SMILESO=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCc1cccnc1
InChIInChI=1S/C20H27N3O2/c24-18(23-13-19(25)22-12-14-2-1-3-21-11-14)10-20-7-15-4-16(8-20)6-17(5-15)9-20/h1-3,11,15-17H,4-10,12-13H2,(H,22,25)(H,23,24)
InChIKeyAYSYANQCLARSJL-UHFFFAOYSA-N
XLogP2.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea
CID 108870288
2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethylsulfanyl)anilino]ethyl]acetamide
CID 34425861
2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 2741139
N-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107021957
2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide
CID 26423380
N-(pyridin-3-ylmethyl)adamantane-2-carboxamide
CID 46532026
N-benzyl-2-(3-phenyl-1-adamantyl)acetamide
CID 2953915
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360322
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
2-(1-adamantyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 19572572
2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
CID 122354327
2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide
CID 8934558

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide (CID 35512081) is 2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide is O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCc1cccnc1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide?
The InChIKey is AYSYANQCLARSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-18(23-13-19(25)22-12-14-2-1-3-21-11-14)10-20-7-15-4-16(8-20)6-17(5-15)9-20/h1-3,11,15-17H,4-10,12-13H2,(H,22,25)(H,23,24).
What are the key properties of 2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide?
2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide has a molecular weight of 341.45 g/mol, XLogP of 2.42, 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-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 35512081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).