2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C19H25F3N4O3 — CID 4824892

IUPAC2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)NC(=O)NC1CCCCC1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H25F3N4O3/c1-26(12-17(28)25-18(29)23-13-7-3-2-4-8-13)11-16(27)24-15-10-6-5-9-14(15)19(20,21)22/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,24,27)(H2,23,25,28,29)
InChIKeyOXJNQDUIICGQEB-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.73
Rot. Bonds6

About 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 4824892) has the molecular formula C19H25F3N4O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID4824892
Molecular FormulaC19H25F3N4O3
Molecular Weight414.43 g/mol
Exact Mass414.19
IUPAC Name2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)NC(=O)NC1CCCCC1)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H25F3N4O3/c1-26(12-17(28)25-18(29)23-13-7-3-2-4-8-13)11-16(27)24-15-10-6-5-9-14(15)19(20,21)22/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,24,27)(H2,23,25,28,29)
InChIKeyOXJNQDUIICGQEB-UHFFFAOYSA-N
XLogP2.73
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 4824892) is 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)NC(=O)NC1CCCCC1)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OXJNQDUIICGQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O3/c1-26(12-17(28)25-18(29)23-13-7-3-2-4-8-13)11-16(27)24-15-10-6-5-9-14(15)19(20,21)22/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,24,27)(H2,23,25,28,29).
What are the key properties of 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 414.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4824892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).