ethyl 2-methyl-2-[2-methyl-4-[2-oxo-2-(4-phenylanilino)ethoxy]phenoxy]propanoate

C27H29NO5 — CID 69346987

IUPACethyl 2-methyl-2-[2-methyl-4-[2-oxo-2-(4-phenylanilino)ethoxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1C
InChIInChI=1S/C27H29NO5/c1-5-31-26(30)27(3,4)33-24-16-15-23(17-19(24)2)32-18-25(29)28-22-13-11-21(12-14-22)20-9-7-6-8-10-20/h6-17H,5,18H2,1-4H3,(H,28,29)
InChIKeyJPZMWWHNDCKKJB-UHFFFAOYSA-N
MW447.53 g/mol
LogP5.40
Rot. Bonds9

About ethyl 2-methyl-2-[2-methyl-4-[2-oxo-2-(4-phenylanilino)ethoxy]phenoxy]propanoate

ethyl 2-methyl-2-[2-methyl-4-[2-oxo-2-(4-phenylanilino)ethoxy]phenoxy]propanoate (PubChem CID 69346987) has the molecular formula C27H29NO5 and a molecular weight of 447.53 g/mol. Its IUPAC name is ethyl 2-methyl-2-[2-methyl-4-[2-oxo-2-(4-phenylanilino)ethoxy]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[2-methyl-4-[2-oxo-2-(4-phenylanilino)ethoxy]phenoxy]propanoate
PubChem CID69346987
Molecular FormulaC27H29NO5
Molecular Weight447.53 g/mol
Exact Mass447.20
IUPAC Nameethyl 2-methyl-2-[2-methyl-4-[2-oxo-2-(4-phenylanilino)ethoxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1C
InChIInChI=1S/C27H29NO5/c1-5-31-26(30)27(3,4)33-24-16-15-23(17-19(24)2)32-18-25(29)28-22-13-11-21(12-14-22)20-9-7-6-8-10-20/h6-17H,5,18H2,1-4H3,(H,28,29)
InChIKeyJPZMWWHNDCKKJB-UHFFFAOYSA-N
XLogP5.40
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.53
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-methyl-2-[2-methyl-4-[2-oxo-2-(4-phenylanilino)ethoxy]phenoxy]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 2-methyl-2-[2-methyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]anilino]ethoxy]phenoxy]propanoate
CID 69350939
2-methyl-2-[2-methyl-4-[3-oxo-3-(4-phenylanilino)propoxy]phenoxy]propanoic acid
CID 69346287
N-(4-ethoxy-3-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 9100487
2-(3,5-dimethoxyphenoxy)-N-(4-phenylphenyl)acetamide
CID 7713896
2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide
CID 1121779
N-(4-anilinophenyl)-2-(4-phenylphenoxy)acetamide
CID 4511463
2-(3-ethoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 112977837
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[2-methyl-4-[2-oxo-2-(4-phenylanilino)ethoxy]phenoxy]propanoate?
The IUPAC name of ethyl 2-methyl-2-[2-methyl-4-[2-oxo-2-(4-phenylanilino)ethoxy]phenoxy]propanoate (CID 69346987) is ethyl 2-methyl-2-[2-methyl-4-[2-oxo-2-(4-phenylanilino)ethoxy]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[2-methyl-4-[2-oxo-2-(4-phenylanilino)ethoxy]phenoxy]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[2-methyl-4-[2-oxo-2-(4-phenylanilino)ethoxy]phenoxy]propanoate is CCOC(=O)C(C)(C)Oc1ccc(OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1C.
What is the InChIKey of ethyl 2-methyl-2-[2-methyl-4-[2-oxo-2-(4-phenylanilino)ethoxy]phenoxy]propanoate?
The InChIKey is JPZMWWHNDCKKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO5/c1-5-31-26(30)27(3,4)33-24-16-15-23(17-19(24)2)32-18-25(29)28-22-13-11-21(12-14-22)20-9-7-6-8-10-20/h6-17H,5,18H2,1-4H3,(H,28,29).
What are the key properties of ethyl 2-methyl-2-[2-methyl-4-[2-oxo-2-(4-phenylanilino)ethoxy]phenoxy]propanoate?
ethyl 2-methyl-2-[2-methyl-4-[2-oxo-2-(4-phenylanilino)ethoxy]phenoxy]propanoate has a molecular weight of 447.53 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[2-methyl-4-[2-oxo-2-(4-phenylanilino)ethoxy]phenoxy]propanoate is sourced from PubChem (CID 69346987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).