ethyl 2-ethoxy-3-[4-[2-[4-[methyl(2-methylpropanoyl)amino]phenyl]ethoxy]phenyl]propanoate

C26H35NO5 — CID 54418983

IUPACethyl 2-ethoxy-3-[4-[2-[4-[methyl(2-methylpropanoyl)amino]phenyl]ethoxy]phenyl]propanoate
SMILESCCOC(=O)C(Cc1ccc(OCCc2ccc(N(C)C(=O)C(C)C)cc2)cc1)OCC
InChIInChI=1S/C26H35NO5/c1-6-30-24(26(29)31-7-2)18-21-10-14-23(15-11-21)32-17-16-20-8-12-22(13-9-20)27(5)25(28)19(3)4/h8-15,19,24H,6-7,16-18H2,1-5H3
InChIKeyVZLSRKYOGPYVEJ-UHFFFAOYSA-N
MW441.57 g/mol
LogP4.44
Rot. Bonds12

About ethyl 2-ethoxy-3-[4-[2-[4-[methyl(2-methylpropanoyl)amino]phenyl]ethoxy]phenyl]propanoate

ethyl 2-ethoxy-3-[4-[2-[4-[methyl(2-methylpropanoyl)amino]phenyl]ethoxy]phenyl]propanoate (PubChem CID 54418983) has the molecular formula C26H35NO5 and a molecular weight of 441.57 g/mol. Its IUPAC name is ethyl 2-ethoxy-3-[4-[2-[4-[methyl(2-methylpropanoyl)amino]phenyl]ethoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-3-[4-[2-[4-[methyl(2-methylpropanoyl)amino]phenyl]ethoxy]phenyl]propanoate
PubChem CID54418983
Molecular FormulaC26H35NO5
Molecular Weight441.57 g/mol
Exact Mass441.25
IUPAC Nameethyl 2-ethoxy-3-[4-[2-[4-[methyl(2-methylpropanoyl)amino]phenyl]ethoxy]phenyl]propanoate
SMILESCCOC(=O)C(Cc1ccc(OCCc2ccc(N(C)C(=O)C(C)C)cc2)cc1)OCC
InChIInChI=1S/C26H35NO5/c1-6-30-24(26(29)31-7-2)18-21-10-14-23(15-11-21)32-17-16-20-8-12-22(13-9-20)27(5)25(28)19(3)4/h8-15,19,24H,6-7,16-18H2,1-5H3
InChIKeyVZLSRKYOGPYVEJ-UHFFFAOYSA-N
XLogP4.44
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-ethoxy-3-[4-[2-[4-[methyl(2-methylpropanoyl)amino]phenyl]ethoxy]phenyl]propanoate 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

ethyl (2S)-2-ethoxy-3-[4-[2-(4-hydroxyphenyl)ethoxy]phenyl]propanoate
CID 71012940
ethyl (2S)-2-ethoxy-3-[4-[2-[4-(2-methylpropanoylamino)phenyl]ethoxy]phenyl]propanoate
CID 54139683
2-ethoxy-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 72556449
ethyl (2S)-2-ethoxy-3-[4-(2-methylsulfonyloxyethoxy)phenyl]propanoate
CID 162640114
ethyl 2-ethoxy-3-[4-(2-pyrrol-1-ylethoxy)phenyl]propanoate
CID 160733152
tert-butyl N-[4-(2-hydroxyethyl)phenyl]carbamate;ethyl 2-ethoxy-3-[4-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethoxy]phenyl]propanoate
CID 157427417
ethyl 2-ethoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 74368608
propyl 2-ethoxy-3-(4-methylphenyl)propanoate
CID 142845050
ethyl (2R)-2-ethoxy-3-(4-hydroxyphenyl)propanoate;ethyl (2R)-2-ethoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 159032947
[4-[2-[4-[2-ethoxy-3-(methoxyamino)-3-oxopropyl]phenoxy]ethyl]phenyl] methanesulfonate
CID 123170529
ethyl (2R)-3-[4-(dibenzylamino)phenyl]-2-ethoxypropanoate
CID 59639980
(2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide
CID 75513593

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-3-[4-[2-[4-[methyl(2-methylpropanoyl)amino]phenyl]ethoxy]phenyl]propanoate?
The IUPAC name of ethyl 2-ethoxy-3-[4-[2-[4-[methyl(2-methylpropanoyl)amino]phenyl]ethoxy]phenyl]propanoate (CID 54418983) is ethyl 2-ethoxy-3-[4-[2-[4-[methyl(2-methylpropanoyl)amino]phenyl]ethoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 2-ethoxy-3-[4-[2-[4-[methyl(2-methylpropanoyl)amino]phenyl]ethoxy]phenyl]propanoate?
The canonical SMILES for ethyl 2-ethoxy-3-[4-[2-[4-[methyl(2-methylpropanoyl)amino]phenyl]ethoxy]phenyl]propanoate is CCOC(=O)C(Cc1ccc(OCCc2ccc(N(C)C(=O)C(C)C)cc2)cc1)OCC.
What is the InChIKey of ethyl 2-ethoxy-3-[4-[2-[4-[methyl(2-methylpropanoyl)amino]phenyl]ethoxy]phenyl]propanoate?
The InChIKey is VZLSRKYOGPYVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO5/c1-6-30-24(26(29)31-7-2)18-21-10-14-23(15-11-21)32-17-16-20-8-12-22(13-9-20)27(5)25(28)19(3)4/h8-15,19,24H,6-7,16-18H2,1-5H3.
What are the key properties of ethyl 2-ethoxy-3-[4-[2-[4-[methyl(2-methylpropanoyl)amino]phenyl]ethoxy]phenyl]propanoate?
ethyl 2-ethoxy-3-[4-[2-[4-[methyl(2-methylpropanoyl)amino]phenyl]ethoxy]phenyl]propanoate has a molecular weight of 441.57 g/mol, XLogP of 4.44, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-3-[4-[2-[4-[methyl(2-methylpropanoyl)amino]phenyl]ethoxy]phenyl]propanoate is sourced from PubChem (CID 54418983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).