N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide

C7H11F3N2O2 — CID 62647345

IUPACN,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCN(C)C(=O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c1-12(2)5(13)3-4-11-6(14)7(8,9)10/h3-4H2,1-2H3,(H,11,14)
InChIKeySZMPVDWXSXOJLE-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.14
Rot. Bonds3

About N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide

N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 62647345) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID62647345
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC NameN,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCN(C)C(=O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c1-12(2)5(13)3-4-11-6(14)7(8,9)10/h3-4H2,1-2H3,(H,11,14)
InChIKeySZMPVDWXSXOJLE-UHFFFAOYSA-N
XLogP0.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[3-(dimethylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 63680934
2-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-methylbutanamide
CID 79797030
3-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 140799745
2-amino-2-cyclopropyl-N-[3-(dimethylamino)-3-oxopropyl]propanamide
CID 60926837
N-[4-(dimethylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 60718041
2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
CID 108537712
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylbutanamide
CID 64684461
N,N-dimethyl-3-(prop-2-enoylamino)propanamide
CID 19971020
2-[(2,2,2-trifluoroacetyl)amino]ethylazanium
CID 36688932
2-[2-[[3-(dimethylamino)-3-oxopropyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569132
ethyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734875
N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide
CID 115715320

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 62647345) is N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide is CN(C)C(=O)CCNC(=O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is SZMPVDWXSXOJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c1-12(2)5(13)3-4-11-6(14)7(8,9)10/h3-4H2,1-2H3,(H,11,14).
What are the key properties of N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 212.17 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 62647345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).