2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide

C8H14F3N3O2 — CID 115519305

IUPAC2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide
SMILESNCC(=O)NCC(=O)NCCCC(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c9-8(10,11)2-1-3-13-7(16)5-14-6(15)4-12/h1-5,12H2,(H,13,16)(H,14,15)
InChIKeyDBMOBDUDYBQQNG-UHFFFAOYSA-N
MW241.21 g/mol
LogP-0.48
Rot. Bonds6

About 2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide

2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide (PubChem CID 115519305) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide
PubChem CID115519305
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC Name2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide
SMILESNCC(=O)NCC(=O)NCCCC(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c9-8(10,11)2-1-3-13-7(16)5-14-6(15)4-12/h1-5,12H2,(H,13,16)(H,14,15)
InChIKeyDBMOBDUDYBQQNG-UHFFFAOYSA-N
XLogP-0.48
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bromo 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2,2-dimethylbutanoate
CID 175344037
N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide
CID 115514932
2-amino-N-[2-[3-[(2-methylpropan-2-yl)oxy]propylamino]-2-oxoethyl]acetamide
CID 147267401
2-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]acetamide
CID 83111303
6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide
CID 113327466
2-amino-N-[2-[3-(2-methoxyethoxy)propylamino]-2-oxoethyl]acetamide
CID 61274452
N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide
CID 106308033
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide
CID 79401001
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]ethanesulfonic acid
CID 59469730
4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide
CID 115519191
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-(bromomethyl)-2-methylbutanoic acid
CID 175344038
2-amino-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]acetamide
CID 60847429

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide (CID 115519305) is 2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide is NCC(=O)NCC(=O)NCCCC(F)(F)F.
What is the InChIKey of 2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide?
The InChIKey is DBMOBDUDYBQQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c9-8(10,11)2-1-3-13-7(16)5-14-6(15)4-12/h1-5,12H2,(H,13,16)(H,14,15).
What are the key properties of 2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide?
2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide has a molecular weight of 241.21 g/mol, XLogP of -0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-(4,4,4-trifluorobutylamino)ethyl]acetamide is sourced from PubChem (CID 115519305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).