2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid

C13H25F3N4O4 — CID 87451575

IUPAC2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N(CCNC(=O)NCC(N)=O)C(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C11H24N4O2.C2HF3O2/c1-8(2)15(9(3)4)6-5-13-11(17)14-7-10(12)16;3-2(4,5)1(6)7/h8-9H,5-7H2,1-4H3,(H2,12,16)(H2,13,14,17);(H,6,7)
InChIKeySOEPVUUJGPBWEH-UHFFFAOYSA-N
MW358.36 g/mol
LogP0.52
Rot. Bonds7

About 2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid

2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 87451575) has the molecular formula C13H25F3N4O4 and a molecular weight of 358.36 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid
PubChem CID87451575
Molecular FormulaC13H25F3N4O4
Molecular Weight358.36 g/mol
Exact Mass358.18
IUPAC Name2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N(CCNC(=O)NCC(N)=O)C(C)C.O=C(O)C(F)(F)F
InChIInChI=1S/C11H24N4O2.C2HF3O2/c1-8(2)15(9(3)4)6-5-13-11(17)14-7-10(12)16;3-2(4,5)1(6)7/h8-9H,5-7H2,1-4H3,(H2,12,16)(H2,13,14,17);(H,6,7)
InChIKeySOEPVUUJGPBWEH-UHFFFAOYSA-N
XLogP0.52
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid (CID 87451575) is 2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid is CC(C)N(CCNC(=O)NCC(N)=O)C(C)C.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is SOEPVUUJGPBWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2.C2HF3O2/c1-8(2)15(9(3)4)6-5-13-11(17)14-7-10(12)16;3-2(4,5)1(6)7/h8-9H,5-7H2,1-4H3,(H2,12,16)(H2,13,14,17);(H,6,7).
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid?
2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 358.36 g/mol, XLogP of 0.52, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87451575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).