N-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide

C7H12F3N3O2 — CID 87451881

IUPACN-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide
SMILESCCNC(=O)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3N3O2/c1-2-11-6(15)13-4-3-12-5(14)7(8,9)10/h2-4H2,1H3,(H,12,14)(H2,11,13,15)
InChIKeyMDEBZJFNKPUCOY-UHFFFAOYSA-N
MW227.19 g/mol
LogP-0.02
Rot. Bonds4

About N-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide

N-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 87451881) has the molecular formula C7H12F3N3O2 and a molecular weight of 227.19 g/mol. Its IUPAC name is N-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide
PubChem CID87451881
Molecular FormulaC7H12F3N3O2
Molecular Weight227.19 g/mol
Exact Mass227.09
IUPAC NameN-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide
SMILESCCNC(=O)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3N3O2/c1-2-11-6(15)13-4-3-12-5(14)7(8,9)10/h2-4H2,1H3,(H,12,14)(H2,11,13,15)
InChIKeyMDEBZJFNKPUCOY-UHFFFAOYSA-N
XLogP-0.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2-difluoroacetamido)ethyl]-2,2-difluoroacetamide
CID 2168339
2,2,2-trifluoro-N-[2-(methylamino)ethyl]acetamide
CID 10702284
Difluoro-imidazolidinyl-ethanone
CID 129884241
1-(2-Acetylaminoethyl)-3-methylurea
CID 3255133
Acetylaminoethylurea
CID 43402668
N-(ethylcarbamoyl)-2,2,2-trifluoroacetamide
CID 1589517
2-[methyl(2,2,2-trifluoroethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 53546061
1-Trifluoroacetyl-1,4,7-triazaheptane
CID 10535989
n-(2-(Ethylamino)ethyl)-2,2,2-trifluoroacetamide
CID 13429029
2,2,2-trifluoro-N-[1-(methylamino)ethyl]acetamide
CID 18187974
N-(2-Dimethylaminoethyl)trifluoroacetamide
CID 18752931
2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 22561436

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide (CID 87451881) is N-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide is CCNC(=O)NCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is MDEBZJFNKPUCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O2/c1-2-11-6(15)13-4-3-12-5(14)7(8,9)10/h2-4H2,1H3,(H,12,14)(H2,11,13,15).
What are the key properties of N-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 227.19 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87451881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).