N-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide

C9H16F3N3O2 — CID 87486776

IUPACN-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide
SMILESCCNC(=O)NC(C)(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c1-4-13-7(17)15-8(2,3)5-14-6(16)9(10,11)12/h4-5H2,1-3H3,(H,14,16)(H2,13,15,17)
InChIKeySPZPEKIVJSHWPM-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.76
Rot. Bonds4

About N-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide

N-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide (PubChem CID 87486776) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide
PubChem CID87486776
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC NameN-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide
SMILESCCNC(=O)NC(C)(C)CNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c1-4-13-7(17)15-8(2,3)5-14-6(16)9(10,11)12/h4-5H2,1-3H3,(H,14,16)(H2,13,15,17)
InChIKeySPZPEKIVJSHWPM-UHFFFAOYSA-N
XLogP0.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide (CID 87486776) is N-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide is CCNC(=O)NC(C)(C)CNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide?
The InChIKey is SPZPEKIVJSHWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c1-4-13-7(17)15-8(2,3)5-14-6(16)9(10,11)12/h4-5H2,1-3H3,(H,14,16)(H2,13,15,17).
What are the key properties of N-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide?
N-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide has a molecular weight of 255.24 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87486776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).