N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide

C9H16F3N3O3 — CID 113219586

IUPACN-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide
SMILESCOCCNC(=O)CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H16F3N3O3/c1-18-3-2-14-7(16)4-13-5-8(17)15-6-9(10,11)12/h13H,2-6H2,1H3,(H,14,16)(H,15,17)
InChIKeySIZYAHKBYXYIIN-UHFFFAOYSA-N
MW271.24 g/mol
LogP-0.98
Rot. Bonds8

About N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide

N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide (PubChem CID 113219586) has the molecular formula C9H16F3N3O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide
PubChem CID113219586
Molecular FormulaC9H16F3N3O3
Molecular Weight271.24 g/mol
Exact Mass271.11
IUPAC NameN-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide
SMILESCOCCNC(=O)CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H16F3N3O3/c1-18-3-2-14-7(16)4-13-5-8(17)15-6-9(10,11)12/h13H,2-6H2,1H3,(H,14,16)(H,15,17)
InChIKeySIZYAHKBYXYIIN-UHFFFAOYSA-N
XLogP-0.98
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide with MolForge

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Related Compounds

2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688
2-(2-methoxyethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79281292
N-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78931967
N-(2-methoxyethyl)-2-[(2-methoxy-2-methylpropyl)amino]acetamide
CID 104760634
N-(2-methoxyethyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115574976
N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721279
2-[[2-(dimethylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)acetamide
CID 60697905
N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
CID 112683708
3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid
CID 103263905
2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]ethyl carbamate
CID 83210570
2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 64604847

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide (CID 113219586) is N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide is COCCNC(=O)CNCC(=O)NCC(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide?
The InChIKey is SIZYAHKBYXYIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O3/c1-18-3-2-14-7(16)4-13-5-8(17)15-6-9(10,11)12/h13H,2-6H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide?
N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide has a molecular weight of 271.24 g/mol, XLogP of -0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide is sourced from PubChem (CID 113219586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).