[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-(dimethylamino)acetate

C22H29NO6 — CID 89122705

IUPAC[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-(dimethylamino)acetate
SMILESCOc1ccc(C(C)c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CN(C)C
InChIInChI=1S/C22H29NO6/c1-14(16-11-19(26-5)22(28-7)20(12-16)27-6)15-8-9-17(25-4)18(10-15)29-21(24)13-23(2)3/h8-12,14H,13H2,1-7H3
InChIKeyIYDRWUXIYKYTPM-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.34
Rot. Bonds9

About [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-(dimethylamino)acetate

[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-(dimethylamino)acetate (PubChem CID 89122705) has the molecular formula C22H29NO6 and a molecular weight of 403.48 g/mol. Its IUPAC name is [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-(dimethylamino)acetate.

Molecular Properties

Compound Name[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-(dimethylamino)acetate
PubChem CID89122705
Molecular FormulaC22H29NO6
Molecular Weight403.48 g/mol
Exact Mass403.20
IUPAC Name[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-(dimethylamino)acetate
SMILESCOc1ccc(C(C)c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CN(C)C
InChIInChI=1S/C22H29NO6/c1-14(16-11-19(26-5)22(28-7)20(12-16)27-6)15-8-9-17(25-4)18(10-15)29-21(24)13-23(2)3/h8-12,14H,13H2,1-7H3
InChIKeyIYDRWUXIYKYTPM-UHFFFAOYSA-N
XLogP3.34
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-(dimethylamino)acetate 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-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate
CID 58329180
[5-[1-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenyl] 2,2-dichloroacetate
CID 175220092
methyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate
CID 20742908
4-[1-(3,4-dimethoxyphenyl)ethyl]benzene-1,2-diol
CID 174965052
(3,4,5-trimethoxyphenyl) 2-methylbutanoate
CID 91873545
1,2-dimethoxy-4-[1-(4-methylphenyl)ethyl]benzene
CID 57200665
(2-methyl-5-propan-2-ylphenyl) 3-(3,4,5-trimethoxyphenyl)propanoate
CID 68873086
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817
ethyl (2S)-2-(3,4,5-trimethoxyphenyl)propanoate
CID 95479616
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide
CID 43545300
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-(dimethylamino)acetate?
The IUPAC name of [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-(dimethylamino)acetate (CID 89122705) is [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-(dimethylamino)acetate.
What is the SMILES notation for [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-(dimethylamino)acetate?
The canonical SMILES for [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-(dimethylamino)acetate is COc1ccc(C(C)c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CN(C)C.
What is the InChIKey of [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-(dimethylamino)acetate?
The InChIKey is IYDRWUXIYKYTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO6/c1-14(16-11-19(26-5)22(28-7)20(12-16)27-6)15-8-9-17(25-4)18(10-15)29-21(24)13-23(2)3/h8-12,14H,13H2,1-7H3.
What are the key properties of [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-(dimethylamino)acetate?
[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-(dimethylamino)acetate has a molecular weight of 403.48 g/mol, XLogP of 3.34, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-(dimethylamino)acetate is sourced from PubChem (CID 89122705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).