N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide

C20H24F3NO4 — CID 55321270

IUPACN,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
SMILESCC(C)CN(CC(C)C)C(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1
InChIInChI=1S/C20H24F3NO4/c1-12(2)9-24(10-13(3)4)18(25)11-27-14-5-6-15-16(20(21,22)23)8-19(26)28-17(15)7-14/h5-8,12-13H,9-11H2,1-4H3
InChIKeyVEAZDFACJXRBKX-UHFFFAOYSA-N
MW399.41 g/mol
LogP4.33
Rot. Bonds7

About N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide

N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide (PubChem CID 55321270) has the molecular formula C20H24F3NO4 and a molecular weight of 399.41 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
PubChem CID55321270
Molecular FormulaC20H24F3NO4
Molecular Weight399.41 g/mol
Exact Mass399.17
IUPAC NameN,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
SMILESCC(C)CN(CC(C)C)C(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1
InChIInChI=1S/C20H24F3NO4/c1-12(2)9-24(10-13(3)4)18(25)11-27-14-5-6-15-16(20(21,22)23)8-19(26)28-17(15)7-14/h5-8,12-13H,9-11H2,1-4H3
InChIKeyVEAZDFACJXRBKX-UHFFFAOYSA-N
XLogP4.33
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-propan-2-ylacetamide
CID 29405533
N-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide
CID 18165435
N-(2-methylbutan-2-yl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 36555062
N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 18165439
N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405387
N-(2,6-diethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405432
N-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 24606264
N-(3-methoxyphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405385
N-(2-methoxyphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405460
7-methoxy-4-(trifluoromethyl)chromen-2-one
CID 688586
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 98751984
(2S)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxypropanehydrazide
CID 2492080

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide (CID 55321270) is N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide is CC(C)CN(CC(C)C)C(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide?
The InChIKey is VEAZDFACJXRBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO4/c1-12(2)9-24(10-13(3)4)18(25)11-27-14-5-6-15-16(20(21,22)23)8-19(26)28-17(15)7-14/h5-8,12-13H,9-11H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide?
N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide has a molecular weight of 399.41 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide is sourced from PubChem (CID 55321270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).