[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate

C20H21FN2O6 — CID 8540552

IUPAC[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
SMILESCOc1cccc(NC(=O)CN(C)C(=O)COC(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C20H21FN2O6/c1-23(11-18(24)22-14-5-4-6-15(10-14)27-2)19(25)12-29-20(26)13-7-8-17(28-3)16(21)9-13/h4-10H,11-12H2,1-3H3,(H,22,24)
InChIKeyGVLXNADLYVZDNK-UHFFFAOYSA-N
MW404.39 g/mol
LogP2.10
Rot. Bonds8

About [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate

[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate (PubChem CID 8540552) has the molecular formula C20H21FN2O6 and a molecular weight of 404.39 g/mol. Its IUPAC name is [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
PubChem CID8540552
Molecular FormulaC20H21FN2O6
Molecular Weight404.39 g/mol
Exact Mass404.14
IUPAC Name[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
SMILESCOc1cccc(NC(=O)CN(C)C(=O)COC(=O)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C20H21FN2O6/c1-23(11-18(24)22-14-5-4-6-15(10-14)27-2)19(25)12-29-20(26)13-7-8-17(28-3)16(21)9-13/h4-10H,11-12H2,1-3H3,(H,22,24)
InChIKeyGVLXNADLYVZDNK-UHFFFAOYSA-N
XLogP2.10
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290641
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 9346554
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-methylbenzoate
CID 9202484
[2-(3-bromoanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991384
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288047
N-(3-methoxyphenyl)-2-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]acetamide
CID 7719005
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8847156
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
4-O-[2-(3-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296644
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 40752824
3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide
CID 9418826

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The IUPAC name of [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate (CID 8540552) is [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate.
What is the SMILES notation for [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The canonical SMILES for [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate is COc1cccc(NC(=O)CN(C)C(=O)COC(=O)c2ccc(OC)c(F)c2)c1.
What is the InChIKey of [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The InChIKey is GVLXNADLYVZDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O6/c1-23(11-18(24)22-14-5-4-6-15(10-14)27-2)19(25)12-29-20(26)13-7-8-17(28-3)16(21)9-13/h4-10H,11-12H2,1-3H3,(H,22,24).
What are the key properties of [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate has a molecular weight of 404.39 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate is sourced from PubChem (CID 8540552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).