2-(ethylcarbamoylamino)-2-methylpropanamide;2,2,2-trifluoroacetic acid

C9H16F3N3O4 — CID 87486773

IUPAC2-(ethylcarbamoylamino)-2-methylpropanamide;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)NC(C)(C)C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15N3O2.C2HF3O2/c1-4-9-6(12)10-7(2,3)5(8)11;3-2(4,5)1(6)7/h4H2,1-3H3,(H2,8,11)(H2,9,10,12);(H,6,7)
InChIKeyVWCSXDUKILMCOU-UHFFFAOYSA-N
MW287.24 g/mol
LogP0.20
Rot. Bonds3

About 2-(ethylcarbamoylamino)-2-methylpropanamide;2,2,2-trifluoroacetic acid

2-(ethylcarbamoylamino)-2-methylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 87486773) has the molecular formula C9H16F3N3O4 and a molecular weight of 287.24 g/mol. Its IUPAC name is 2-(ethylcarbamoylamino)-2-methylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(ethylcarbamoylamino)-2-methylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID87486773
Molecular FormulaC9H16F3N3O4
Molecular Weight287.24 g/mol
Exact Mass287.11
IUPAC Name2-(ethylcarbamoylamino)-2-methylpropanamide;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)NC(C)(C)C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15N3O2.C2HF3O2/c1-4-9-6(12)10-7(2,3)5(8)11;3-2(4,5)1(6)7/h4H2,1-3H3,(H2,8,11)(H2,9,10,12);(H,6,7)
InChIKeyVWCSXDUKILMCOU-UHFFFAOYSA-N
XLogP0.20
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoylamino)-2-methylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(ethylcarbamoylamino)-2-methylpropanamide;2,2,2-trifluoroacetic acid (CID 87486773) is 2-(ethylcarbamoylamino)-2-methylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(ethylcarbamoylamino)-2-methylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(ethylcarbamoylamino)-2-methylpropanamide;2,2,2-trifluoroacetic acid is CCNC(=O)NC(C)(C)C(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(ethylcarbamoylamino)-2-methylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is VWCSXDUKILMCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2.C2HF3O2/c1-4-9-6(12)10-7(2,3)5(8)11;3-2(4,5)1(6)7/h4H2,1-3H3,(H2,8,11)(H2,9,10,12);(H,6,7).
What are the key properties of 2-(ethylcarbamoylamino)-2-methylpropanamide;2,2,2-trifluoroacetic acid?
2-(ethylcarbamoylamino)-2-methylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 287.24 g/mol, XLogP of 0.20, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoylamino)-2-methylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87486773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).