methyl 5-(2,4-dimethoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate

C16H20F3NO5 — CID 44890622

IUPACmethyl 5-(2,4-dimethoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate
SMILESCOC(=O)CCC(Cc1ccc(OC)cc1OC)NC(=O)C(F)(F)F
InChIInChI=1S/C16H20F3NO5/c1-23-12-6-4-10(13(9-12)24-2)8-11(5-7-14(21)25-3)20-15(22)16(17,18)19/h4,6,9,11H,5,7-8H2,1-3H3,(H,20,22)
InChIKeyFMYQFTXBOLEDCI-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.25
Rot. Bonds8

About methyl 5-(2,4-dimethoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate

methyl 5-(2,4-dimethoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate (PubChem CID 44890622) has the molecular formula C16H20F3NO5 and a molecular weight of 363.33 g/mol. Its IUPAC name is methyl 5-(2,4-dimethoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 5-(2,4-dimethoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate
PubChem CID44890622
Molecular FormulaC16H20F3NO5
Molecular Weight363.33 g/mol
Exact Mass363.13
IUPAC Namemethyl 5-(2,4-dimethoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate
SMILESCOC(=O)CCC(Cc1ccc(OC)cc1OC)NC(=O)C(F)(F)F
InChIInChI=1S/C16H20F3NO5/c1-23-12-6-4-10(13(9-12)24-2)8-11(5-7-14(21)25-3)20-15(22)16(17,18)19/h4,6,9,11H,5,7-8H2,1-3H3,(H,20,22)
InChIKeyFMYQFTXBOLEDCI-UHFFFAOYSA-N
XLogP2.25
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-(2,4-dimethoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate with MolForge

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Related Compounds

methyl (4S)-5-(4-methoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 25138757
methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
CID 11844508
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide
CID 15034414
(4S)-4-amino-5-(2,4-dimethoxyphenyl)pentanoic acid
CID 27282138
methyl (4S)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 102062040
N-[2-[(2,4-dimethoxyphenyl)methyl-(2-hydroxypropyl)amino]-2-oxoethyl]-2,2,2-trifluoroacetamide;2-methylpropane
CID 142041118
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate
CID 116851597
[4-methoxy-2-(4-methylpentanoyloxy)phenyl] 4-methylpentanoate
CID 90032024
(2R)-2-bromo-N-[(2,4-dimethoxyphenyl)methyl]butanamide
CID 92864173
N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide
CID 91727190
(2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 166726717

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,4-dimethoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate?
The IUPAC name of methyl 5-(2,4-dimethoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate (CID 44890622) is methyl 5-(2,4-dimethoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate.
What is the SMILES notation for methyl 5-(2,4-dimethoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate?
The canonical SMILES for methyl 5-(2,4-dimethoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate is COC(=O)CCC(Cc1ccc(OC)cc1OC)NC(=O)C(F)(F)F.
What is the InChIKey of methyl 5-(2,4-dimethoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate?
The InChIKey is FMYQFTXBOLEDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO5/c1-23-12-6-4-10(13(9-12)24-2)8-11(5-7-14(21)25-3)20-15(22)16(17,18)19/h4,6,9,11H,5,7-8H2,1-3H3,(H,20,22).
What are the key properties of methyl 5-(2,4-dimethoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate?
methyl 5-(2,4-dimethoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate has a molecular weight of 363.33 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,4-dimethoxyphenyl)-4-[(2,2,2-trifluoroacetyl)amino]pentanoate is sourced from PubChem (CID 44890622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).