2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3,3-trifluoro-2-methylpropanamide

C9H17F3N4O2 — CID 83111234

IUPAC2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCN(C)C(=O)NCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N4O2/c1-8(13,9(10,11)12)6(17)14-4-5-15-7(18)16(2)3/h4-5,13H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyIWPJMIJBHFMLOJ-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.35
Rot. Bonds4

About 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 83111234) has the molecular formula C9H17F3N4O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID83111234
Molecular FormulaC9H17F3N4O2
Molecular Weight270.25 g/mol
Exact Mass270.13
IUPAC Name2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCN(C)C(=O)NCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N4O2/c1-8(13,9(10,11)12)6(17)14-4-5-15-7(18)16(2)3/h4-5,13H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyIWPJMIJBHFMLOJ-UHFFFAOYSA-N
XLogP-0.35
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-3-[1-oxo-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]urea
CID 44613717
2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 75443708
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 53548188
N-[3,3,3-trifluoro-2-methyl-2-(propanoylamino)propyl]propanamide
CID 119052926
2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide
CID 21030157
N-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide
CID 59661790
N-[2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]ethyl]-2,2,2-trifluoroacetamide
CID 87451577
N-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide
CID 87486776
2-[dimethylcarbamoyl(propylcarbamoyl)amino]-N'-ethyl-2-(trifluoromethyl)propanediamide
CID 141056472
2-(ethylcarbamoylamino)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 156077993
H-Ala-D-aMeAla(F3)-Ala-NH2
CID 15487694
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 16351987

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3,3-trifluoro-2-methylpropanamide (CID 83111234) is 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3,3-trifluoro-2-methylpropanamide is CN(C)C(=O)NCCNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is IWPJMIJBHFMLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N4O2/c1-8(13,9(10,11)12)6(17)14-4-5-15-7(18)16(2)3/h4-5,13H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 270.25 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 83111234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).