N-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide

C20H23F3N2O5 — CID 55773477

IUPACN-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2ccco2)CC(F)(F)F)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C20H23F3N2O5/c1-13(2)24-18(26)11-30-16-7-6-14(9-17(16)28-3)19(27)25(12-20(21,22)23)10-15-5-4-8-29-15/h4-9,13H,10-12H2,1-3H3,(H,24,26)
InChIKeyRLSSWVSJBLDVMH-UHFFFAOYSA-N
MW428.41 g/mol
LogP3.40
Rot. Bonds9

About N-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide

N-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55773477) has the molecular formula C20H23F3N2O5 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55773477
Molecular FormulaC20H23F3N2O5
Molecular Weight428.41 g/mol
Exact Mass428.16
IUPAC NameN-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2ccco2)CC(F)(F)F)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C20H23F3N2O5/c1-13(2)24-18(26)11-30-16-7-6-14(9-17(16)28-3)19(27)25(12-20(21,22)23)10-15-5-4-8-29-15/h4-9,13H,10-12H2,1-3H3,(H,24,26)
InChIKeyRLSSWVSJBLDVMH-UHFFFAOYSA-N
XLogP3.40
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-(furan-2-ylmethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2,2,2-trifluoroethyl)benzamide
CID 55452795
N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide
CID 55452898
3-methoxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55962113
N-[(4-fluorophenyl)methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-pentylbenzamide
CID 55773772
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
methyl 3-(N-[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]-2-methylanilino)propanoate
CID 75457084
4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 56531111
N-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 103764896
2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965
3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61109632
ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 167446651
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113053908

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide (CID 55773477) is N-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide is COc1cc(C(=O)N(Cc2ccco2)CC(F)(F)F)ccc1OCC(=O)NC(C)C.
What is the InChIKey of N-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is RLSSWVSJBLDVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O5/c1-13(2)24-18(26)11-30-16-7-6-14(9-17(16)28-3)19(27)25(12-20(21,22)23)10-15-5-4-8-29-15/h4-9,13H,10-12H2,1-3H3,(H,24,26).
What are the key properties of N-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide?
N-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 428.41 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55773477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).