[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate

C20H21FN2O5 — CID 42459438

IUPAC[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCC(=O)NCc1ccc(C)c(F)c1
InChIInChI=1S/C20H21FN2O5/c1-13-7-8-14(9-16(13)21)10-22-18(24)12-28-19(25)11-23-20(26)15-5-3-4-6-17(15)27-2/h3-9H,10-12H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyUPDOUWOAJQXWAD-UHFFFAOYSA-N
MW388.40 g/mol
LogP1.73
Rot. Bonds8

About [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate

[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate (PubChem CID 42459438) has the molecular formula C20H21FN2O5 and a molecular weight of 388.40 g/mol. Its IUPAC name is [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
PubChem CID42459438
Molecular FormulaC20H21FN2O5
Molecular Weight388.40 g/mol
Exact Mass388.14
IUPAC Name[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCC(=O)NCc1ccc(C)c(F)c1
InChIInChI=1S/C20H21FN2O5/c1-13-7-8-14(9-16(13)21)10-22-18(24)12-28-19(25)11-23-20(26)15-5-3-4-6-17(15)27-2/h3-9H,10-12H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyUPDOUWOAJQXWAD-UHFFFAOYSA-N
XLogP1.73
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-fluorophenoxy)acetamide
CID 34315448
N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide
CID 24535452
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 7629041
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 42459667
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 30055669
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 55467741
(3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 8662119
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-propoxyphenoxy)acetamide
CID 24553271
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 55365939
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 33304679
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2399525
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 7629034

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate (CID 42459438) is [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate is COc1ccccc1C(=O)NCC(=O)OCC(=O)NCc1ccc(C)c(F)c1.
What is the InChIKey of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The InChIKey is UPDOUWOAJQXWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O5/c1-13-7-8-14(9-16(13)21)10-22-18(24)12-28-19(25)11-23-20(26)15-5-3-4-6-17(15)27-2/h3-9H,10-12H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate has a molecular weight of 388.40 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 42459438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).