N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C10H18F3N3O2 — CID 78914805

IUPACN-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCCNC(=O)CN(C)C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-3-4-15-8(17)6-16(2)9(18)5-14-7-10(11,12)13/h14H,3-7H2,1-2H3,(H,15,17)
InChIKeyGBMRNKCACPLDQD-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.12
Rot. Bonds7

About N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914805) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914805
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC NameN-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCCNC(=O)CN(C)C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-3-4-15-8(17)6-16(2)9(18)5-14-7-10(11,12)13/h14H,3-7H2,1-2H3,(H,15,17)
InChIKeyGBMRNKCACPLDQD-UHFFFAOYSA-N
XLogP0.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914738
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-2-(propylamino)acetamide
CID 55207779
2,2,3,3,3-pentafluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 114038098
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(propylamino)acetamide
CID 60672011
N-methyl-3-oxo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide
CID 54876595
2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 43238259
2-hydroxy-N,2-dimethyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 103429649
2-[methyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid
CID 79261617
2-methyl-2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 81222629
N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595910
N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 115869500
methyl 2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propan-2-ylamino]acetate
CID 62026833

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914805) is N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is CCCNC(=O)CN(C)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is GBMRNKCACPLDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-3-4-15-8(17)6-16(2)9(18)5-14-7-10(11,12)13/h14H,3-7H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 269.27 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).