3-cyclopropyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]imidazolidine-1-carboxamide

C12H18F3N3O2 — CID 136581374

IUPAC3-cyclopropyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]imidazolidine-1-carboxamide
SMILESCC(C)[C@H](NC(=O)N1CC(=O)N(C2CC2)C1)C(F)(F)F
InChIInChI=1S/C12H18F3N3O2/c1-7(2)10(12(13,14)15)16-11(20)17-5-9(19)18(6-17)8-3-4-8/h7-8,10H,3-6H2,1-2H3,(H,16,20)/t10-/m0/s1
InChIKeyDEQAQVBDOWNZDK-JTQLQIEISA-N
MW293.29 g/mol
LogP1.55
Rot. Bonds3

About 3-cyclopropyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]imidazolidine-1-carboxamide

3-cyclopropyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]imidazolidine-1-carboxamide (PubChem CID 136581374) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-cyclopropyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]imidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]imidazolidine-1-carboxamide
PubChem CID136581374
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name3-cyclopropyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]imidazolidine-1-carboxamide
SMILESCC(C)[C@H](NC(=O)N1CC(=O)N(C2CC2)C1)C(F)(F)F
InChIInChI=1S/C12H18F3N3O2/c1-7(2)10(12(13,14)15)16-11(20)17-5-9(19)18(6-17)8-3-4-8/h7-8,10H,3-6H2,1-2H3,(H,16,20)/t10-/m0/s1
InChIKeyDEQAQVBDOWNZDK-JTQLQIEISA-N
XLogP1.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]imidazolidine-1-carboxamide with MolForge

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Related Compounds

N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
CID 4432972
N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
CID 3238722
3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide
CID 45105963
3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide
CID 71868037
2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 3643364
1-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea
CID 72042109
3-(cyclopropylmethyl)-N-ethyl-4-oxoimidazolidine-1-carboxamide
CID 126807710
5-Propan-2-yl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 116013104
2-[4-(1,1-Difluoroethyl)-2-oxoimidazolidin-1-yl]acetamide
CID 123586457
methyl N-[3-methyl-1-oxo-1-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]butan-2-yl]carbamate
CID 141292205
1-(1,1,1-Trifluoropentan-3-yl)imidazolidine-2,4-dione
CID 154265681
1-[(2S)-3,3,3-trifluoro-2-methylpropyl]imidazolidine-2,4-dione
CID 175002614

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]imidazolidine-1-carboxamide?
The IUPAC name of 3-cyclopropyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]imidazolidine-1-carboxamide (CID 136581374) is 3-cyclopropyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]imidazolidine-1-carboxamide.
What is the SMILES notation for 3-cyclopropyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]imidazolidine-1-carboxamide?
The canonical SMILES for 3-cyclopropyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]imidazolidine-1-carboxamide is CC(C)[C@H](NC(=O)N1CC(=O)N(C2CC2)C1)C(F)(F)F.
What is the InChIKey of 3-cyclopropyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]imidazolidine-1-carboxamide?
The InChIKey is DEQAQVBDOWNZDK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-7(2)10(12(13,14)15)16-11(20)17-5-9(19)18(6-17)8-3-4-8/h7-8,10H,3-6H2,1-2H3,(H,16,20)/t10-/m0/s1.
What are the key properties of 3-cyclopropyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]imidazolidine-1-carboxamide?
3-cyclopropyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]imidazolidine-1-carboxamide has a molecular weight of 293.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]imidazolidine-1-carboxamide is sourced from PubChem (CID 136581374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).