propan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate

C20H23NO4 — CID 126191295

IUPACpropan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate
SMILESCCOc1cccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)c1
InChIInChI=1S/C20H23NO4/c1-4-23-19-7-5-6-17(12-19)21-13-16-8-10-18(11-9-16)24-14-20(22)25-15(2)3/h5-13,15H,4,14H2,1-3H3/b21-13+
InChIKeyQFPSBGIXSCTVBG-FYJGNVAPSA-N
MW341.41 g/mol
LogP4.17
Rot. Bonds8

About propan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate

propan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate (PubChem CID 126191295) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is propan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate
PubChem CID126191295
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namepropan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate
SMILESCCOc1cccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)c1
InChIInChI=1S/C20H23NO4/c1-4-23-19-7-5-6-17(12-19)21-13-16-8-10-18(11-9-16)24-14-20(22)25-15(2)3/h5-13,15H,4,14H2,1-3H3/b21-13+
InChIKeyQFPSBGIXSCTVBG-FYJGNVAPSA-N
XLogP4.17
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze propan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]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

propan-2-yl 2-[4-[(3-hydroxyphenyl)iminomethyl]phenoxy]acetate
CID 126195598
propan-2-yl 2-[4-[(4-iodo-3-methylphenyl)iminomethyl]phenoxy]acetate
CID 126194966
propan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate
CID 126194165
propan-2-yl 2-[4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]acetate
CID 126194772
propan-2-yl 2-(4-formylphenoxy)acetate
CID 23274286
1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222
propan-2-yl 2-phenoxyacetate
CID 11367560
propan-2-yl 2-[4-[(Z)-[(3-iodobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126193130
3-[(4-ethoxyphenyl)methylideneamino]benzonitrile
CID 613591
N-[(4-ethoxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 689841
1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine
CID 10881658
2-[(4-ethoxyphenyl)methylideneamino]fluoren-9-one
CID 821961

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate?
The IUPAC name of propan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate (CID 126191295) is propan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate is CCOc1cccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)c1.
What is the InChIKey of propan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate?
The InChIKey is QFPSBGIXSCTVBG-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-23-19-7-5-6-17(12-19)21-13-16-8-10-18(11-9-16)24-14-20(22)25-15(2)3/h5-13,15H,4,14H2,1-3H3/b21-13+.
What are the key properties of propan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate?
propan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate has a molecular weight of 341.41 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate is sourced from PubChem (CID 126191295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).