2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propan-2-ylacetamide

C9H16F3N3O2 — CID 113219968

IUPAC2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c1-6(2)14-7(16)4-15(3)8(17)13-5-9(10,11)12/h6H,4-5H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyIMKYQEQQFIFREL-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.71
Rot. Bonds4

About 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propan-2-ylacetamide

2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propan-2-ylacetamide (PubChem CID 113219968) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propan-2-ylacetamide
PubChem CID113219968
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC Name2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c1-6(2)14-7(16)4-15(3)8(17)13-5-9(10,11)12/h6H,4-5H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyIMKYQEQQFIFREL-UHFFFAOYSA-N
XLogP0.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-3-[1-oxo-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]urea
CID 44613717
2,2,2-trifluoro-N-propan-2-yl-N-(propan-2-ylcarbamoyl)acetamide
CID 331263
2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide
CID 40165312
2-[methyl(2,2,2-trifluoroethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 53546061
(2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide
CID 97238203
2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide
CID 21030157
2-[2-[Di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid
CID 87451575
N-[2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]ethyl]-2,2,2-trifluoroacetamide
CID 87451577
N-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide
CID 87486776
2-(carbamoylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 123195260
2-[4-(1,1-Difluoroethyl)-2-oxoimidazolidin-1-yl]acetamide
CID 123586457
N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide
CID 135186419

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propan-2-ylacetamide (CID 113219968) is 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propan-2-ylacetamide?
The InChIKey is IMKYQEQQFIFREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c1-6(2)14-7(16)4-15(3)8(17)13-5-9(10,11)12/h6H,4-5H2,1-3H3,(H,13,17)(H,14,16).
What are the key properties of 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propan-2-ylacetamide?
2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propan-2-ylacetamide has a molecular weight of 255.24 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 113219968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).