[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate

C24H29FN2O6 — CID 55467741

IUPAC[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)C(C)(C)C)c(C(=O)OCC(=O)NCc2ccc(C)c(F)c2)cc1OC
InChIInChI=1S/C24H29FN2O6/c1-14-7-8-15(9-17(14)25)12-26-21(28)13-33-22(29)16-10-19(31-5)20(32-6)11-18(16)27-23(30)24(2,3)4/h7-11H,12-13H2,1-6H3,(H,26,28)(H,27,30)
InChIKeyRIFQVUMCYYOSQK-UHFFFAOYSA-N
MW460.50 g/mol
LogP3.61
Rot. Bonds8

About [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate

[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate (PubChem CID 55467741) has the molecular formula C24H29FN2O6 and a molecular weight of 460.50 g/mol. Its IUPAC name is [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
PubChem CID55467741
Molecular FormulaC24H29FN2O6
Molecular Weight460.50 g/mol
Exact Mass460.20
IUPAC Name[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)C(C)(C)C)c(C(=O)OCC(=O)NCc2ccc(C)c(F)c2)cc1OC
InChIInChI=1S/C24H29FN2O6/c1-14-7-8-15(9-17(14)25)12-26-21(28)13-33-22(29)16-10-19(31-5)20(32-6)11-18(16)27-23(30)24(2,3)4/h7-11H,12-13H2,1-6H3,(H,26,28)(H,27,30)
InChIKeyRIFQVUMCYYOSQK-UHFFFAOYSA-N
XLogP3.61
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate with MolForge

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Related Compounds

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
CID 41279748
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 42459438
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566071
[2-(benzylamino)-2-oxoethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate
CID 55311304
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643918
N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 34316547
[2-oxo-2-(1-phenylbutylamino)ethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 55368001
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7523020
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxy-4-nitrophenoxy)acetamide
CID 60619500
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-fluorophenoxy)acetamide
CID 34315448
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 24567544
[4-(phenylcarbamoyl)phenyl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 24577349

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
The IUPAC name of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate (CID 55467741) is [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate is COc1cc(NC(=O)C(C)(C)C)c(C(=O)OCC(=O)NCc2ccc(C)c(F)c2)cc1OC.
What is the InChIKey of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
The InChIKey is RIFQVUMCYYOSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O6/c1-14-7-8-15(9-17(14)25)12-26-21(28)13-33-22(29)16-10-19(31-5)20(32-6)11-18(16)27-23(30)24(2,3)4/h7-11H,12-13H2,1-6H3,(H,26,28)(H,27,30).
What are the key properties of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate has a molecular weight of 460.50 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 55467741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).