N-methyl-2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C14H24F3N3O2 — CID 75364955

IUPACN-methyl-2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCC(N(C)C(=O)NCC(=O)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C14H24F3N3O2/c1-10-4-6-11(7-5-10)20(3)13(22)18-8-12(21)19(2)9-14(15,16)17/h10-11H,4-9H2,1-3H3,(H,18,22)
InChIKeyIETHBHYYCXTDPX-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.23
Rot. Bonds4

About N-methyl-2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

N-methyl-2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 75364955) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-methyl-2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID75364955
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC NameN-methyl-2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCC(N(C)C(=O)NCC(=O)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C14H24F3N3O2/c1-10-4-6-11(7-5-10)20(3)13(22)18-8-12(21)19(2)9-14(15,16)17/h10-11H,4-9H2,1-3H3,(H,18,22)
InChIKeyIETHBHYYCXTDPX-UHFFFAOYSA-N
XLogP2.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide
CID 4222340
N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 71985645
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 45794305
2-[Methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetamide
CID 45825489
2-[Cyclopentyl-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide
CID 53507633
3-(1-Cyclohexylethyl)-5-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 132383907
2-[4-(4-methylcyclohexyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 145890903
N-ethyl-2-piperazin-1-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 49854191
2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7799900
2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7799901
2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7799903
2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7799904

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 75364955) is N-methyl-2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is CC1CCC(N(C)C(=O)NCC(=O)N(C)CC(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IETHBHYYCXTDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c1-10-4-6-11(7-5-10)20(3)13(22)18-8-12(21)19(2)9-14(15,16)17/h10-11H,4-9H2,1-3H3,(H,18,22).
What are the key properties of N-methyl-2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 323.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[methyl-(4-methylcyclohexyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 75364955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).