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

C22H25NO6 — CID 27284886

IUPAC[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
SMILESC=CCOc1ccc(C(=O)OCC(=O)NCCc2ccc(OC)cc2)cc1OC
InChIInChI=1S/C22H25NO6/c1-4-13-28-19-10-7-17(14-20(19)27-3)22(25)29-15-21(24)23-12-11-16-5-8-18(26-2)9-6-16/h4-10,14H,1,11-13,15H2,2-3H3,(H,23,24)
InChIKeySHHAXSNHFSUDCO-UHFFFAOYSA-N
MW399.44 g/mol
LogP2.78
Rot. Bonds11

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

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate (PubChem CID 27284886) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
PubChem CID27284886
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
SMILESC=CCOc1ccc(C(=O)OCC(=O)NCCc2ccc(OC)cc2)cc1OC
InChIInChI=1S/C22H25NO6/c1-4-13-28-19-10-7-17(14-20(19)27-3)22(25)29-15-21(24)23-12-11-16-5-8-18(26-2)9-6-16/h4-10,14H,1,11-13,15H2,2-3H3,(H,23,24)
InChIKeySHHAXSNHFSUDCO-UHFFFAOYSA-N
XLogP2.78
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[2-(4-methoxyphenyl)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-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
CID 33258152
3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide
CID 33159433
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386542
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
CID 18123440
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 2607192
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 24685903
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluorobenzoate
CID 8612523
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16501403
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2556909
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate
CID 9011270
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
CID 2358005
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614932

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate (CID 27284886) is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate is C=CCOc1ccc(C(=O)OCC(=O)NCCc2ccc(OC)cc2)cc1OC.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate?
The InChIKey is SHHAXSNHFSUDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-4-13-28-19-10-7-17(14-20(19)27-3)22(25)29-15-21(24)23-12-11-16-5-8-18(26-2)9-6-16/h4-10,14H,1,11-13,15H2,2-3H3,(H,23,24).
What are the key properties of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate?
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate has a molecular weight of 399.44 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate is sourced from PubChem (CID 27284886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).