N-propan-2-yl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide

C8H14F3N3O2 — CID 115582778

IUPACN-propan-2-yl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide
SMILESCC(C)NC(=O)CNC(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c1-5(2)14-6(15)3-12-7(16)13-4-8(9,10)11/h5H,3-4H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyFJRCBDZGMDZEOL-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.37
Rot. Bonds4

About N-propan-2-yl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide

N-propan-2-yl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide (PubChem CID 115582778) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is N-propan-2-yl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide
PubChem CID115582778
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC NameN-propan-2-yl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide
SMILESCC(C)NC(=O)CNC(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c1-5(2)14-6(15)3-12-7(16)13-4-8(9,10)11/h5H,3-4H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyFJRCBDZGMDZEOL-UHFFFAOYSA-N
XLogP0.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-propan-2-yl-N-(propan-2-ylcarbamoyl)acetamide
CID 331263
2-[methyl(2,2,2-trifluoroethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 53546061
2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide
CID 21030157
N-(1-amino-1-oxopropan-2-yl)-3,3,3-trifluoropropanamide
CID 21865721
2-[(2,2,2-Trifluoroacetyl)amino]propanamide
CID 21865727
N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 62728423
N-[2-(aminomethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 87061158
N-[2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]ethyl]-2,2,2-trifluoroacetamide
CID 87451577
N-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide
CID 87451881
N-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide
CID 87486776
N-(3-acetamido-4,4,4-trifluorobutan-2-yl)acetamide
CID 87529424
(2R)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 87782800

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide?
The IUPAC name of N-propan-2-yl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide (CID 115582778) is N-propan-2-yl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide?
The canonical SMILES for N-propan-2-yl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide is CC(C)NC(=O)CNC(=O)NCC(F)(F)F.
What is the InChIKey of N-propan-2-yl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide?
The InChIKey is FJRCBDZGMDZEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c1-5(2)14-6(15)3-12-7(16)13-4-8(9,10)11/h5H,3-4H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of N-propan-2-yl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide?
N-propan-2-yl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide has a molecular weight of 241.21 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide is sourced from PubChem (CID 115582778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).