2-amino-N-[2-(ethylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide

C8H14F3N3O2 — CID 79796799

IUPAC2-amino-N-[2-(ethylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCCNC(=O)CNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c1-3-13-5(15)4-14-6(16)7(2,12)8(9,10)11/h3-4,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyINSMGVFMNRBCDG-UHFFFAOYSA-N
MW241.21 g/mol
LogP-0.48
Rot. Bonds4

About 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-[2-(ethylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79796799) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(ethylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79796799
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC Name2-amino-N-[2-(ethylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCCNC(=O)CNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c1-3-13-5(15)4-14-6(16)7(2,12)8(9,10)11/h3-4,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyINSMGVFMNRBCDG-UHFFFAOYSA-N
XLogP-0.48
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
2-amino-N-(2,2,2-trifluoroethyl)propanamide hydrochloride
CID 45791817
N1-isobutyl-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45585739
1,2-Diaminoethane, N-trifluoroacetyl-2,2-dimethyl-
CID 546891
2-amino-N-ethyl-3,3,3-trifluoro-2-methylpropanamide
CID 79789707
3,3-Difluoro-2-methyl-2-(methylamino)propanamide
CID 165989600
3,3-dimethyl-N-propyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907243
N-(t-butyl)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)-butanamide
CID 172907255
2,2-Dimethyl-3-oxodiethylenetriamine
CID 61264678
N,N'-propane-1,2-diylbis(2,2,3,3-tetrafluoropropanamide)
CID 4347934
(2S)-N-[2-(cyanomethylamino)-2-oxoethyl]-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 44332726
N-tert-butyl-2-[butyl(2,2,2-trifluoroethyl)amino]acetamide
CID 56788582

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide (CID 79796799) is 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide is CCNC(=O)CNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is INSMGVFMNRBCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c1-3-13-5(15)4-14-6(16)7(2,12)8(9,10)11/h3-4,12H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[2-(ethylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 241.21 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(ethylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79796799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).