methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate

C21H25NO5 — CID 17438151

IUPACmethyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)NC(C)CCc2ccccc2)c(OC)c1
InChIInChI=1S/C21H25NO5/c1-15(9-10-16-7-5-4-6-8-16)22-20(23)14-27-18-12-11-17(21(24)26-3)13-19(18)25-2/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,22,23)
InChIKeyRPMUDTVGJPDMBY-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.00
Rot. Bonds9

About methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate

methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate (PubChem CID 17438151) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate
PubChem CID17438151
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Namemethyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)NC(C)CCc2ccccc2)c(OC)c1
InChIInChI=1S/C21H25NO5/c1-15(9-10-16-7-5-4-6-8-16)22-20(23)14-27-18-12-11-17(21(24)26-3)13-19(18)25-2/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,22,23)
InChIKeyRPMUDTVGJPDMBY-UHFFFAOYSA-N
XLogP3.00
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate 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-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16501550
4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 1243127
2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8634027
2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4781197
methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate
CID 8808009
[2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 55306280
2-(2-bromo-4-chlorophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4217698
2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8808315
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] naphthalene-2-carboxylate
CID 2507620
methyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate
CID 92752909
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7167774
2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7820162

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate?
The IUPAC name of methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate (CID 17438151) is methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate.
What is the SMILES notation for methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate?
The canonical SMILES for methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate is COC(=O)c1ccc(OCC(=O)NC(C)CCc2ccccc2)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate?
The InChIKey is RPMUDTVGJPDMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-15(9-10-16-7-5-4-6-8-16)22-20(23)14-27-18-12-11-17(21(24)26-3)13-19(18)25-2/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,22,23).
What are the key properties of methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate?
methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate has a molecular weight of 371.43 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate is sourced from PubChem (CID 17438151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).