2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-propan-2-ylacetamide

C11H19F3N4O3 — CID 86909099

IUPAC2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)NC(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N4O3/c1-7(2)16-8(19)4-18(3)5-9(20)17-10(21)15-6-11(12,13)14/h7H,4-6H2,1-3H3,(H,16,19)(H2,15,17,20,21)
InChIKeyPPPUSTJHQHTNDQ-UHFFFAOYSA-N
MW312.29 g/mol
LogP-0.17
Rot. Bonds6

About 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-propan-2-ylacetamide

2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-propan-2-ylacetamide (PubChem CID 86909099) has the molecular formula C11H19F3N4O3 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-propan-2-ylacetamide
PubChem CID86909099
Molecular FormulaC11H19F3N4O3
Molecular Weight312.29 g/mol
Exact Mass312.14
IUPAC Name2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)NC(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N4O3/c1-7(2)16-8(19)4-18(3)5-9(20)17-10(21)15-6-11(12,13)14/h7H,4-6H2,1-3H3,(H,16,19)(H2,15,17,20,21)
InChIKeyPPPUSTJHQHTNDQ-UHFFFAOYSA-N
XLogP-0.17
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-propan-2-ylacetamide (CID 86909099) is 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)CC(=O)NC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-propan-2-ylacetamide?
The InChIKey is PPPUSTJHQHTNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O3/c1-7(2)16-8(19)4-18(3)5-9(20)17-10(21)15-6-11(12,13)14/h7H,4-6H2,1-3H3,(H,16,19)(H2,15,17,20,21).
What are the key properties of 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-propan-2-ylacetamide?
2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-propan-2-ylacetamide has a molecular weight of 312.29 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 86909099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).