N-[4-(ethylcarbamoylamino)cyclohexyl]-2,2,2-trifluoroacetamide

C11H18F3N3O2 — CID 87636555

IUPACN-[4-(ethylcarbamoylamino)cyclohexyl]-2,2,2-trifluoroacetamide
SMILESCCNC(=O)NC1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2/c1-2-15-10(19)17-8-5-3-7(4-6-8)16-9(18)11(12,13)14/h7-8H,2-6H2,1H3,(H,16,18)(H2,15,17,19)
InChIKeyDRAAMKYMQAMRQY-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.30
Rot. Bonds3

About N-[4-(ethylcarbamoylamino)cyclohexyl]-2,2,2-trifluoroacetamide

N-[4-(ethylcarbamoylamino)cyclohexyl]-2,2,2-trifluoroacetamide (PubChem CID 87636555) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[4-(ethylcarbamoylamino)cyclohexyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-(ethylcarbamoylamino)cyclohexyl]-2,2,2-trifluoroacetamide
PubChem CID87636555
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC NameN-[4-(ethylcarbamoylamino)cyclohexyl]-2,2,2-trifluoroacetamide
SMILESCCNC(=O)NC1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2/c1-2-15-10(19)17-8-5-3-7(4-6-8)16-9(18)11(12,13)14/h7-8H,2-6H2,1H3,(H,16,18)(H2,15,17,19)
InChIKeyDRAAMKYMQAMRQY-UHFFFAOYSA-N
XLogP1.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylcarbamoylamino)cyclohexyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-(ethylcarbamoylamino)cyclohexyl]-2,2,2-trifluoroacetamide (CID 87636555) is N-[4-(ethylcarbamoylamino)cyclohexyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-(ethylcarbamoylamino)cyclohexyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-(ethylcarbamoylamino)cyclohexyl]-2,2,2-trifluoroacetamide is CCNC(=O)NC1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[4-(ethylcarbamoylamino)cyclohexyl]-2,2,2-trifluoroacetamide?
The InChIKey is DRAAMKYMQAMRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-2-15-10(19)17-8-5-3-7(4-6-8)16-9(18)11(12,13)14/h7-8H,2-6H2,1H3,(H,16,18)(H2,15,17,19).
What are the key properties of N-[4-(ethylcarbamoylamino)cyclohexyl]-2,2,2-trifluoroacetamide?
N-[4-(ethylcarbamoylamino)cyclohexyl]-2,2,2-trifluoroacetamide has a molecular weight of 281.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylcarbamoylamino)cyclohexyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87636555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).