N-propyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide

C8H14F3N3O2 — CID 86811881

IUPACN-propyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide
SMILESCCCNC(=O)CNC(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c1-2-3-12-6(15)4-13-7(16)14-5-8(9,10)11/h2-5H2,1H3,(H,12,15)(H2,13,14,16)
InChIKeyPDWLPRZGBPLVLZ-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.37
Rot. Bonds5

About N-propyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide

N-propyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide (PubChem CID 86811881) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is N-propyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-propyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide
PubChem CID86811881
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC NameN-propyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide
SMILESCCCNC(=O)CNC(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c1-2-3-12-6(15)4-13-7(16)14-5-8(9,10)11/h2-5H2,1H3,(H,12,15)(H2,13,14,16)
InChIKeyPDWLPRZGBPLVLZ-UHFFFAOYSA-N
XLogP0.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N1-isobutyl-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45585739
2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide
CID 40165312
2-[methyl(2,2,2-trifluoroethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 53546061
2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide
CID 21030157
N-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide
CID 54051423
N-(2,2-difluoropropyl)-2-(methylamino)acetamide
CID 58266218
N-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide
CID 59661790
N-[2-(aminomethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 87061158
N-[3-(ethylcarbamoylamino)propyl]-2,2,2-trifluoroacetamide
CID 87130104
N-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide
CID 87130166
N-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide
CID 87451881
N-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide
CID 87486776

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide?
The IUPAC name of N-propyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide (CID 86811881) is N-propyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide.
What is the SMILES notation for N-propyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide?
The canonical SMILES for N-propyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide is CCCNC(=O)CNC(=O)NCC(F)(F)F.
What is the InChIKey of N-propyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide?
The InChIKey is PDWLPRZGBPLVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c1-2-3-12-6(15)4-13-7(16)14-5-8(9,10)11/h2-5H2,1H3,(H,12,15)(H2,13,14,16).
What are the key properties of N-propyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide?
N-propyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide has a molecular weight of 241.21 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetamide is sourced from PubChem (CID 86811881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).