2-amino-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide

C10H18F3N3O2 — CID 54871583

IUPAC2-amino-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CNC(=O)CN
InChIInChI=1S/C10H18F3N3O2/c1-7(2)5-16(6-10(11,12)13)9(18)4-15-8(17)3-14/h7H,3-6,14H2,1-2H3,(H,15,17)
InChIKeyPSNBHIUFOXHPKR-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.11
Rot. Bonds6

About 2-amino-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide

2-amino-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide (PubChem CID 54871583) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-amino-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
PubChem CID54871583
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name2-amino-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CNC(=O)CN
InChIInChI=1S/C10H18F3N3O2/c1-7(2)5-16(6-10(11,12)13)9(18)4-15-8(17)3-14/h7H,3-6,14H2,1-2H3,(H,15,17)
InChIKeyPSNBHIUFOXHPKR-UHFFFAOYSA-N
XLogP0.11
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(2-methylpropyl)oxamide
CID 314340
N,N'-Dipropyloxamide
CID 123335
N1-isobutyl-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45585739
N,N-diisobutyloxalamide
CID 108496395
N,2,2-trimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 40140664
N-tert-butyl-2-[butyl(2,2,2-trifluoroethyl)amino]acetamide
CID 56788582
N-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide
CID 119052926
N-ethyl-1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]azetidine-3-carboxamide
CID 164636043
1-(4,7-Diacetyl-1,4,7,10-tetrazacyclododec-1-yl)-2,2,2-trifluoroethanone
CID 18335501
1-(8,11-Diacetyl-1,4,8,11-tetrazacyclotetradec-1-yl)-2,2,2-trifluoroethanone
CID 18335506
N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 21299789
N-(1-amino-1-oxopropan-2-yl)-3,3-difluoro-2-methylpropanamide
CID 54533422

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide (CID 54871583) is 2-amino-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide is CC(C)CN(CC(F)(F)F)C(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide?
The InChIKey is PSNBHIUFOXHPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-7(2)5-16(6-10(11,12)13)9(18)4-15-8(17)3-14/h7H,3-6,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide has a molecular weight of 269.27 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 54871583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).