2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide

C16H23F3N2O2 — CID 7601341

IUPAC2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
SMILESO=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCC(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c17-16(18,19)9-21-14(23)8-20-13(22)7-15-4-10-1-11(5-15)3-12(2-10)6-15/h10-12H,1-9H2,(H,20,22)(H,21,23)
InChIKeySYOVLFQQIUMYGF-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.39
Rot. Bonds5

About 2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide

2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide (PubChem CID 7601341) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
PubChem CID7601341
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide
SMILESO=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCC(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c17-16(18,19)9-21-14(23)8-20-13(22)7-15-4-10-1-11(5-15)3-12(2-10)6-15/h10-12H,1-9H2,(H,20,22)(H,21,23)
InChIKeySYOVLFQQIUMYGF-UHFFFAOYSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
2-(3-bromo-1-adamantyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 102603283
2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide
CID 111539328
2-[2-(1-adamantyl)ethylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 112769079
2-(1-adamantyl)-N-[2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-oxoethyl]acetamide
CID 55705796
(2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]propanoic acid
CID 119369903
(5S,7S)-3-chloro-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]adamantane-1-carboxamide
CID 7535378
2-(1-adamantyl)-N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]acetamide
CID 119477047
2-(1-adamantyl)-N-(2-chloroethyl)acetamide
CID 79986232
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755543
2-(1-adamantyl)-N-[2-[[1-(methoxymethyl)cyclobutyl]methylamino]-2-oxoethyl]acetamide
CID 100734323
3-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]-methylamino]propanoic acid
CID 119362474

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide (CID 7601341) is 2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide is O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCC(F)(F)F.
What is the InChIKey of 2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide?
The InChIKey is SYOVLFQQIUMYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c17-16(18,19)9-21-14(23)8-20-13(22)7-15-4-10-1-11(5-15)3-12(2-10)6-15/h10-12H,1-9H2,(H,20,22)(H,21,23).
What are the key properties of 2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide?
2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide has a molecular weight of 332.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]acetamide is sourced from PubChem (CID 7601341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).