N-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethylcarbamoylamino]propanamide

C15H20F3N3O2 — CID 51092746

IUPACN-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethylcarbamoylamino]propanamide
SMILESCCNC(=O)C(C)NC(=O)NC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H20F3N3O2/c1-4-19-13(22)10(3)21-14(23)20-9(2)11-7-5-6-8-12(11)15(16,17)18/h5-10H,4H2,1-3H3,(H,19,22)(H2,20,21,23)
InChIKeyBYLOFMMXTTYRML-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.59
Rot. Bonds5

About N-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethylcarbamoylamino]propanamide

N-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethylcarbamoylamino]propanamide (PubChem CID 51092746) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethylcarbamoylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethylcarbamoylamino]propanamide
PubChem CID51092746
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethylcarbamoylamino]propanamide
SMILESCCNC(=O)C(C)NC(=O)NC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H20F3N3O2/c1-4-19-13(22)10(3)21-14(23)20-9(2)11-7-5-6-8-12(11)15(16,17)18/h5-10H,4H2,1-3H3,(H,19,22)(H2,20,21,23)
InChIKeyBYLOFMMXTTYRML-UHFFFAOYSA-N
XLogP2.59
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethylcarbamoylamino]propanamide?
The IUPAC name of N-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethylcarbamoylamino]propanamide (CID 51092746) is N-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethylcarbamoylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethylcarbamoylamino]propanamide?
The canonical SMILES for N-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethylcarbamoylamino]propanamide is CCNC(=O)C(C)NC(=O)NC(C)c1ccccc1C(F)(F)F.
What is the InChIKey of N-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethylcarbamoylamino]propanamide?
The InChIKey is BYLOFMMXTTYRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-4-19-13(22)10(3)21-14(23)20-9(2)11-7-5-6-8-12(11)15(16,17)18/h5-10H,4H2,1-3H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethylcarbamoylamino]propanamide?
N-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethylcarbamoylamino]propanamide has a molecular weight of 331.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-[2-(trifluoromethyl)phenyl]ethylcarbamoylamino]propanamide is sourced from PubChem (CID 51092746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).