2-[(2-methylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide

C12H20F3N3O2 — CID 47158750

IUPAC2-[(2-methylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCCCC1NC(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H20F3N3O2/c1-8-4-2-3-5-9(8)18-11(20)16-6-10(19)17-7-12(13,14)15/h8-9H,2-7H2,1H3,(H,17,19)(H2,16,18,20)
InChIKeyPSHOXKUZPGYUEY-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.54
Rot. Bonds4

About 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2-methylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 47158750) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID47158750
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC Name2-[(2-methylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCCCC1NC(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H20F3N3O2/c1-8-4-2-3-5-9(8)18-11(20)16-6-10(19)17-7-12(13,14)15/h8-9H,2-7H2,1H3,(H,17,19)(H2,16,18,20)
InChIKeyPSHOXKUZPGYUEY-UHFFFAOYSA-N
XLogP1.54
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 47158750) is 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide is CC1CCCCC1NC(=O)NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PSHOXKUZPGYUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-8-4-2-3-5-9(8)18-11(20)16-6-10(19)17-7-12(13,14)15/h8-9H,2-7H2,1H3,(H,17,19)(H2,16,18,20).
What are the key properties of 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-methylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 295.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 47158750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).