2,2,3,3,3-pentafluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide

C9H13F5N2O2 — CID 114038098

IUPAC2,2,3,3,3-pentafluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F5N2O2/c1-3-4-15-6(17)5-16(2)7(18)8(10,11)9(12,13)14/h3-5H2,1-2H3,(H,15,17)
InChIKeyRNSSQJYSXOFCPG-UHFFFAOYSA-N
MW276.20 g/mol
LogP1.17
Rot. Bonds5

About 2,2,3,3,3-pentafluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide

2,2,3,3,3-pentafluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide (PubChem CID 114038098) has the molecular formula C9H13F5N2O2 and a molecular weight of 276.20 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
PubChem CID114038098
Molecular FormulaC9H13F5N2O2
Molecular Weight276.20 g/mol
Exact Mass276.09
IUPAC Name2,2,3,3,3-pentafluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F5N2O2/c1-3-4-15-6(17)5-16(2)7(18)8(10,11)9(12,13)14/h3-5H2,1-2H3,(H,15,17)
InChIKeyRNSSQJYSXOFCPG-UHFFFAOYSA-N
XLogP1.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N,2-dimethyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 103429649
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914805
2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 43238259
N-[2-(ethylamino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 61150518
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
trifluoro-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]boranuide
CID 63703325
(2S)-3,3-dimethyl-2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]butanoic acid
CID 61452367
2-methyl-2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 81222629
3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61115445
2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
CID 61294360
methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate
CID 62026833
4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 47097429

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide (CID 114038098) is 2,2,3,3,3-pentafluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide is CCCNC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The InChIKey is RNSSQJYSXOFCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F5N2O2/c1-3-4-15-6(17)5-16(2)7(18)8(10,11)9(12,13)14/h3-5H2,1-2H3,(H,15,17).
What are the key properties of 2,2,3,3,3-pentafluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
2,2,3,3,3-pentafluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide has a molecular weight of 276.20 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide is sourced from PubChem (CID 114038098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).