ethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate

C23H29NO5 — CID 163216114

IUPACethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCc1ccc(OC(C)OC(C)C)cc1
InChIInChI=1S/C23H29NO5/c1-5-27-23(26)20-8-6-7-9-21(20)24-22(25)15-12-18-10-13-19(14-11-18)29-17(4)28-16(2)3/h6-11,13-14,16-17H,5,12,15H2,1-4H3,(H,24,25)
InChIKeyCEYJZQGUSHGKGC-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.58
Rot. Bonds10

About ethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate

ethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate (PubChem CID 163216114) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is ethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate
PubChem CID163216114
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Nameethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CCc1ccc(OC(C)OC(C)C)cc1
InChIInChI=1S/C23H29NO5/c1-5-27-23(26)20-8-6-7-9-21(20)24-22(25)15-12-18-10-13-19(14-11-18)29-17(4)28-16(2)3/h6-11,13-14,16-17H,5,12,15H2,1-4H3,(H,24,25)
InChIKeyCEYJZQGUSHGKGC-UHFFFAOYSA-N
XLogP4.58
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 27844298
(2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 27042248
methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate
CID 19225981
ethyl 2-[3-(3,4-dichlorophenyl)propanoylamino]benzoate
CID 100593471
ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682452
ethyl 2-(propanoylamino)benzoate
CID 4190428
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 2706279
ethyl 2-[3-(2-methyl-1,3-oxazol-4-yl)propanoylamino]benzoate
CID 110679362
ethyl 2-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999964
[2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42981329
[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 43033084
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42982115

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate?
The IUPAC name of ethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate (CID 163216114) is ethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate.
What is the SMILES notation for ethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate?
The canonical SMILES for ethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)CCc1ccc(OC(C)OC(C)C)cc1.
What is the InChIKey of ethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate?
The InChIKey is CEYJZQGUSHGKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-5-27-23(26)20-8-6-7-9-21(20)24-22(25)15-12-18-10-13-19(14-11-18)29-17(4)28-16(2)3/h6-11,13-14,16-17H,5,12,15H2,1-4H3,(H,24,25).
What are the key properties of ethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate?
ethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate has a molecular weight of 399.49 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[4-(1-propan-2-yloxyethoxy)phenyl]propanoylamino]benzoate is sourced from PubChem (CID 163216114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).