4,4,4-trifluoro-3-[methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]butanamide

C11H19F3N4O3 — CID 167820790

IUPAC4,4,4-trifluoro-3-[methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]butanamide
SMILESCCCNC(=O)NC(=O)CN(C)C(CC(N)=O)C(F)(F)F
InChIInChI=1S/C11H19F3N4O3/c1-3-4-16-10(21)17-9(20)6-18(2)7(5-8(15)19)11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,19)(H2,16,17,20,21)
InChIKeyUGMHNXUATJQOBT-UHFFFAOYSA-N
MW312.29 g/mol
LogP-0.04
Rot. Bonds7

About 4,4,4-trifluoro-3-[methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]butanamide

4,4,4-trifluoro-3-[methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]butanamide (PubChem CID 167820790) has the molecular formula C11H19F3N4O3 and a molecular weight of 312.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-[methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-[methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]butanamide
PubChem CID167820790
Molecular FormulaC11H19F3N4O3
Molecular Weight312.29 g/mol
Exact Mass312.14
IUPAC Name4,4,4-trifluoro-3-[methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]butanamide
SMILESCCCNC(=O)NC(=O)CN(C)C(CC(N)=O)C(F)(F)F
InChIInChI=1S/C11H19F3N4O3/c1-3-4-16-10(21)17-9(20)6-18(2)7(5-8(15)19)11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,19)(H2,16,17,20,21)
InChIKeyUGMHNXUATJQOBT-UHFFFAOYSA-N
XLogP-0.04
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-aminoethyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 62688633
2-[[3-hydroxy-2-(hydroxymethyl)propyl]-methylamino]-N-(propylcarbamoyl)acetamide
CID 146142232
2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 46620951
2-[(1-amino-1-sulfanylidenepentan-3-yl)-methylamino]-N-propylacetamide
CID 61451371
2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide
CID 60686309
N-(propylcarbamoyl)butanamide
CID 12936931
2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 40706145
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide
CID 78962583
2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 9251739
2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide
CID 34442127
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 40710223
2-bromo-N-(propylcarbamoyl)acetamide
CID 81223054

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-[methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]butanamide?
The IUPAC name of 4,4,4-trifluoro-3-[methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]butanamide (CID 167820790) is 4,4,4-trifluoro-3-[methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-[methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-[methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]butanamide is CCCNC(=O)NC(=O)CN(C)C(CC(N)=O)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-[methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]butanamide?
The InChIKey is UGMHNXUATJQOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O3/c1-3-4-16-10(21)17-9(20)6-18(2)7(5-8(15)19)11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,19)(H2,16,17,20,21).
What are the key properties of 4,4,4-trifluoro-3-[methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]butanamide?
4,4,4-trifluoro-3-[methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]butanamide has a molecular weight of 312.29 g/mol, XLogP of -0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-[methyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]butanamide is sourced from PubChem (CID 167820790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).