[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate

C23H27NO7 — CID 33258152

IUPAC[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
SMILESC=CCOc1ccc(C(=O)OCC(=O)NCCOc2ccc(OCC)cc2)cc1OC
InChIInChI=1S/C23H27NO7/c1-4-13-30-20-11-6-17(15-21(20)27-3)23(26)31-16-22(25)24-12-14-29-19-9-7-18(8-10-19)28-5-2/h4,6-11,15H,1,5,12-14,16H2,2-3H3,(H,24,25)
InChIKeyFVQZXBZCDBWBHS-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.01
Rot. Bonds13

About [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate

[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate (PubChem CID 33258152) has the molecular formula C23H27NO7 and a molecular weight of 429.47 g/mol. Its IUPAC name is [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate.

Molecular Properties

Compound Name[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
PubChem CID33258152
Molecular FormulaC23H27NO7
Molecular Weight429.47 g/mol
Exact Mass429.18
IUPAC Name[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
SMILESC=CCOc1ccc(C(=O)OCC(=O)NCCOc2ccc(OCC)cc2)cc1OC
InChIInChI=1S/C23H27NO7/c1-4-13-30-20-11-6-17(15-21(20)27-3)23(26)31-16-22(25)24-12-14-29-19-9-7-18(8-10-19)28-5-2/h4,6-11,15H,1,5,12-14,16H2,2-3H3,(H,24,25)
InChIKeyFVQZXBZCDBWBHS-UHFFFAOYSA-N
XLogP3.01
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate 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-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
CID 27284886
N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 34060908
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
CID 18123440
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 24685903
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 9197258
[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558714
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501283
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 27913717
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387139
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2500974
[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 61485706
4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 24819647

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate?
The IUPAC name of [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate (CID 33258152) is [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate.
What is the SMILES notation for [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate?
The canonical SMILES for [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate is C=CCOc1ccc(C(=O)OCC(=O)NCCOc2ccc(OCC)cc2)cc1OC.
What is the InChIKey of [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate?
The InChIKey is FVQZXBZCDBWBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO7/c1-4-13-30-20-11-6-17(15-21(20)27-3)23(26)31-16-22(25)24-12-14-29-19-9-7-18(8-10-19)28-5-2/h4,6-11,15H,1,5,12-14,16H2,2-3H3,(H,24,25).
What are the key properties of [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate?
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate has a molecular weight of 429.47 g/mol, XLogP of 3.01, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate is sourced from PubChem (CID 33258152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).