4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide

C20H20F3N3O6 — CID 31619702

IUPAC4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
SMILESCOc1cc(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1OCC(N)=O
InChIInChI=1S/C20H20F3N3O6/c1-26(10-18(28)25-13-4-6-14(7-5-13)32-20(21,22)23)19(29)12-3-8-15(16(9-12)30-2)31-11-17(24)27/h3-9H,10-11H2,1-2H3,(H2,24,27)(H,25,28)
InChIKeyONZWSESNHZGBQS-UHFFFAOYSA-N
MW455.39 g/mol
LogP2.17
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide

4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide (PubChem CID 31619702) has the molecular formula C20H20F3N3O6 and a molecular weight of 455.39 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
PubChem CID31619702
Molecular FormulaC20H20F3N3O6
Molecular Weight455.39 g/mol
Exact Mass455.13
IUPAC Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
SMILESCOc1cc(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1OCC(N)=O
InChIInChI=1S/C20H20F3N3O6/c1-26(10-18(28)25-13-4-6-14(7-5-13)32-20(21,22)23)19(29)12-3-8-15(16(9-12)30-2)31-11-17(24)27/h3-9H,10-11H2,1-2H3,(H2,24,27)(H,25,28)
InChIKeyONZWSESNHZGBQS-UHFFFAOYSA-N
XLogP2.17
TPSA120.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide with MolForge

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Related Compounds

N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 46418355
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 16552258
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8584003
2,3-dimethoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9220589
4-(2-amino-2-oxoethoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 9092005
4-(2-amino-2-oxoethoxy)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 9089019
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 46490770
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8641843
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678401
N,2,5-trimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9220591
2-fluoro-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 8781656

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide (CID 31619702) is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide is COc1cc(C(=O)N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide?
The InChIKey is ONZWSESNHZGBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O6/c1-26(10-18(28)25-13-4-6-14(7-5-13)32-20(21,22)23)19(29)12-3-8-15(16(9-12)30-2)31-11-17(24)27/h3-9H,10-11H2,1-2H3,(H2,24,27)(H,25,28).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide?
4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide has a molecular weight of 455.39 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide is sourced from PubChem (CID 31619702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).