2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide

C14H17F3N2O3 — CID 71977559

IUPAC2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOC(C)C(=O)NC(C)(C(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O3/c1-8(22-3)11(20)19-13(2,12(18)21)9-5-4-6-10(7-9)14(15,16)17/h4-8H,1-3H3,(H2,18,21)(H,19,20)
InChIKeyTZESBQXDBUGIDK-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.56
Rot. Bonds5

About 2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide

2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 71977559) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID71977559
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Name2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOC(C)C(=O)NC(C)(C(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O3/c1-8(22-3)11(20)19-13(2,12(18)21)9-5-4-6-10(7-9)14(15,16)17/h4-8H,1-3H3,(H2,18,21)(H,19,20)
InChIKeyTZESBQXDBUGIDK-UHFFFAOYSA-N
XLogP1.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 119338792
(2S)-2-[(2-methylsulfanylacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 96528918
4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide
CID 119338802
methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate
CID 61002525
2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 60796923
N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyridine-2-carboxamide
CID 71977558
methyl 2-amino-3-methyl-3-[3-(trifluoromethyl)phenyl]butanoate
CID 115050962
2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 167951535
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 79617609
(2R)-2-(2-methoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40745730
methyl 2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
CID 60691144

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide (CID 71977559) is 2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide is COC(C)C(=O)NC(C)(C(N)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is TZESBQXDBUGIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-8(22-3)11(20)19-13(2,12(18)21)9-5-4-6-10(7-9)14(15,16)17/h4-8H,1-3H3,(H2,18,21)(H,19,20).
What are the key properties of 2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide?
2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 318.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 71977559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).