2-amino-N-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethyl]acetamide

C12H20F3N3O3 — CID 60846780

IUPAC2-amino-N-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethyl]acetamide
SMILESNCC(=O)NCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H20F3N3O3/c13-12(14,15)7-21-9-3-1-2-8(4-9)18-11(20)6-17-10(19)5-16/h8-9H,1-7,16H2,(H,17,19)(H,18,20)
InChIKeyAKJNEZPFHGSQGH-UHFFFAOYSA-N
MW311.30 g/mol
LogP0.07
Rot. Bonds6

About 2-amino-N-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethyl]acetamide

2-amino-N-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethyl]acetamide (PubChem CID 60846780) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethyl]acetamide
PubChem CID60846780
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC Name2-amino-N-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethyl]acetamide
SMILESNCC(=O)NCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H20F3N3O3/c13-12(14,15)7-21-9-3-1-2-8(4-9)18-11(20)6-17-10(19)5-16/h8-9H,1-7,16H2,(H,17,19)(H,18,20)
InChIKeyAKJNEZPFHGSQGH-UHFFFAOYSA-N
XLogP0.07
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
CID 43698410
(2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
CID 61155301
(2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
CID 90063146
(2S)-1-iodo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]azetidine-2-carboxamide
CID 90063155
N-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide
CID 134388649
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide
CID 43698414
2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 43698417
2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
CID 43698418
6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide
CID 43698419
3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43698422
2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43698425
2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
CID 43698430

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethyl]acetamide (CID 60846780) is 2-amino-N-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethyl]acetamide is NCC(=O)NCC(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-amino-N-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethyl]acetamide?
The InChIKey is AKJNEZPFHGSQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c13-12(14,15)7-21-9-3-1-2-8(4-9)18-11(20)6-17-10(19)5-16/h8-9H,1-7,16H2,(H,17,19)(H,18,20).
What are the key properties of 2-amino-N-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethyl]acetamide?
2-amino-N-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethyl]acetamide has a molecular weight of 311.30 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]ethyl]acetamide is sourced from PubChem (CID 60846780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).