[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate

C24H25NO7 — CID 42450370

IUPAC[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate
SMILESCOc1ccc(CCNC(=O)COC(=O)c2occc2COc2ccccc2)cc1OC
InChIInChI=1S/C24H25NO7/c1-28-20-9-8-17(14-21(20)29-2)10-12-25-22(26)16-32-24(27)23-18(11-13-30-23)15-31-19-6-4-3-5-7-19/h3-9,11,13-14H,10,12,15-16H2,1-2H3,(H,25,26)
InChIKeyXYXYKOREJNKTPF-UHFFFAOYSA-N
MW439.46 g/mol
LogP3.39
Rot. Bonds11

About [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate

[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate (PubChem CID 42450370) has the molecular formula C24H25NO7 and a molecular weight of 439.46 g/mol. Its IUPAC name is [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate
PubChem CID42450370
Molecular FormulaC24H25NO7
Molecular Weight439.46 g/mol
Exact Mass439.16
IUPAC Name[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate
SMILESCOc1ccc(CCNC(=O)COC(=O)c2occc2COc2ccccc2)cc1OC
InChIInChI=1S/C24H25NO7/c1-28-20-9-8-17(14-21(20)29-2)10-12-25-22(26)16-32-24(27)23-18(11-13-30-23)15-31-19-6-4-3-5-7-19/h3-9,11,13-14H,10,12,15-16H2,1-2H3,(H,25,26)
InChIKeyXYXYKOREJNKTPF-UHFFFAOYSA-N
XLogP3.39
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate 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

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate
CID 42204645
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 55466131
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 2607192
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-3-carboxylate
CID 9413378
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9064778
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556389
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7893069
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 7811570

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate (CID 42450370) is [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate is COc1ccc(CCNC(=O)COC(=O)c2occc2COc2ccccc2)cc1OC.
What is the InChIKey of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is XYXYKOREJNKTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO7/c1-28-20-9-8-17(14-21(20)29-2)10-12-25-22(26)16-32-24(27)23-18(11-13-30-23)15-31-19-6-4-3-5-7-19/h3-9,11,13-14H,10,12,15-16H2,1-2H3,(H,25,26).
What are the key properties of [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate?
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 439.46 g/mol, XLogP of 3.39, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 42450370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).