N-methyl-2-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N4O — CID 111464972

IUPACN-methyl-2-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC/N=C(\NCC(=O)N(C)CC(F)(F)F)N1CCCC1
InChIInChI=1S/C11H19F3N4O/c1-15-10(18-5-3-4-6-18)16-7-9(19)17(2)8-11(12,13)14/h3-8H2,1-2H3,(H,15,16)
InChIKeyVNBWHQLMBJNVPO-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.68
Rot. Bonds3

About N-methyl-2-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

N-methyl-2-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111464972) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is N-methyl-2-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111464972
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC NameN-methyl-2-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC/N=C(\NCC(=O)N(C)CC(F)(F)F)N1CCCC1
InChIInChI=1S/C11H19F3N4O/c1-15-10(18-5-3-4-6-18)16-7-9(19)17(2)8-11(12,13)14/h3-8H2,1-2H3,(H,15,16)
InChIKeyVNBWHQLMBJNVPO-UHFFFAOYSA-N
XLogP0.68
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 111464972) is N-methyl-2-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is C/N=C(\NCC(=O)N(C)CC(F)(F)F)N1CCCC1.
What is the InChIKey of N-methyl-2-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VNBWHQLMBJNVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/c1-15-10(18-5-3-4-6-18)16-7-9(19)17(2)8-11(12,13)14/h3-8H2,1-2H3,(H,15,16).
What are the key properties of N-methyl-2-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 280.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111464972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).