N-methyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H19F3N4O — CID 111499969

IUPACN-methyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC/N=C(/NCC(=O)N(C)CC(F)(F)F)NC(C)C
InChIInChI=1S/C10H19F3N4O/c1-7(2)16-9(14-3)15-5-8(18)17(4)6-10(11,12)13/h7H,5-6H2,1-4H3,(H2,14,15,16)
InChIKeyGWCOFQGEGSQOBD-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.58
Rot. Bonds4

About N-methyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

N-methyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111499969) has the molecular formula C10H19F3N4O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-methyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111499969
Molecular FormulaC10H19F3N4O
Molecular Weight268.28 g/mol
Exact Mass268.15
IUPAC NameN-methyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESC/N=C(/NCC(=O)N(C)CC(F)(F)F)NC(C)C
InChIInChI=1S/C10H19F3N4O/c1-7(2)16-9(14-3)15-5-8(18)17(4)6-10(11,12)13/h7H,5-6H2,1-4H3,(H2,14,15,16)
InChIKeyGWCOFQGEGSQOBD-UHFFFAOYSA-N
XLogP0.58
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
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-N-propan-2-ylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 111499969) is N-methyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is C/N=C(/NCC(=O)N(C)CC(F)(F)F)NC(C)C.
What is the InChIKey of N-methyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GWCOFQGEGSQOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O/c1-7(2)16-9(14-3)15-5-8(18)17(4)6-10(11,12)13/h7H,5-6H2,1-4H3,(H2,14,15,16).
What are the key properties of N-methyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 268.28 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111499969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).