ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate

C22H25NO5 — CID 100747803

IUPACethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCOCC2)ccc1OC
InChIInChI=1S/C22H25NO5/c1-3-28-20(24)18-15-17(9-10-19(18)26-2)23-21(25)22(11-13-27-14-12-22)16-7-5-4-6-8-16/h4-10,15H,3,11-14H2,1-2H3,(H,23,25)
InChIKeyBDUKUIHVVXQJLI-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.56
Rot. Bonds6

About ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate

ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate (PubChem CID 100747803) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate
PubChem CID100747803
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Nameethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCOCC2)ccc1OC
InChIInChI=1S/C22H25NO5/c1-3-28-20(24)18-15-17(9-10-19(18)26-2)23-21(25)22(11-13-27-14-12-22)16-7-5-4-6-8-16/h4-10,15H,3,11-14H2,1-2H3,(H,23,25)
InChIKeyBDUKUIHVVXQJLI-UHFFFAOYSA-N
XLogP3.56
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]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

ethyl 2-butan-2-yloxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate
CID 133229622
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
ethyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745600
ethyl 5-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]-2-propoxybenzoate
CID 100749097
methyl 2-ethoxy-5-[[4-(3-methylphenyl)oxane-4-carbonyl]amino]benzoate
CID 100748319
N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 119419519
ethyl 5-[(4-phenyloxane-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797817
methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate
CID 100748813
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-4-phenyloxane-4-carboxamide
CID 100679396
ethyl 2-(2-methylpropoxy)-5-[[4-(4-nitrophenyl)oxane-4-carbonyl]amino]benzoate
CID 100748146
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-phenyloxane-4-carboxamide
CID 39904648
methyl 2-[(2R)-butan-2-yl]oxy-5-[[4-(3-methylphenyl)oxane-4-carbonyl]amino]benzoate
CID 100748343

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate (CID 100747803) is ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate is CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCOCC2)ccc1OC.
What is the InChIKey of ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate?
The InChIKey is BDUKUIHVVXQJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-3-28-20(24)18-15-17(9-10-19(18)26-2)23-21(25)22(11-13-27-14-12-22)16-7-5-4-6-8-16/h4-10,15H,3,11-14H2,1-2H3,(H,23,25).
What are the key properties of ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate?
ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate has a molecular weight of 383.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate is sourced from PubChem (CID 100747803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).