propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate

C20H21NO6 — CID 28913518

IUPACpropyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate
SMILESCCCOC(=O)c1cccc(NC(=O)COc2c(C=O)cccc2OC)c1
InChIInChI=1S/C20H21NO6/c1-3-10-26-20(24)14-6-4-8-16(11-14)21-18(23)13-27-19-15(12-22)7-5-9-17(19)25-2/h4-9,11-12H,3,10,13H2,1-2H3,(H,21,23)
InChIKeyBOGZUPOTDHJKKF-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.09
Rot. Bonds9

About propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate

propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate (PubChem CID 28913518) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate
PubChem CID28913518
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Namepropyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate
SMILESCCCOC(=O)c1cccc(NC(=O)COc2c(C=O)cccc2OC)c1
InChIInChI=1S/C20H21NO6/c1-3-10-26-20(24)14-6-4-8-16(11-14)21-18(23)13-27-19-15(12-22)7-5-9-17(19)25-2/h4-9,11-12H,3,10,13H2,1-2H3,(H,21,23)
InChIKeyBOGZUPOTDHJKKF-UHFFFAOYSA-N
XLogP3.09
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate
CID 19165843
N-(4-ethoxyphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
CID 17201773
N-(4-butylphenyl)-2-(2-formyl-6-methoxyphenoxy)acetamide
CID 28913417
butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate
CID 19180963
2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide
CID 43471368
propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167371
propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate
CID 84566637
2-(2-formyl-6-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 61489932
[2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 2600330
propyl 3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzoate
CID 3431507
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
propyl 3-[[2-(2-bromo-4-chloro-3,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19201865

Frequently Asked Questions

What is the IUPAC name of propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate?
The IUPAC name of propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate (CID 28913518) is propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate?
The canonical SMILES for propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate is CCCOC(=O)c1cccc(NC(=O)COc2c(C=O)cccc2OC)c1.
What is the InChIKey of propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate?
The InChIKey is BOGZUPOTDHJKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-3-10-26-20(24)14-6-4-8-16(11-14)21-18(23)13-27-19-15(12-22)7-5-9-17(19)25-2/h4-9,11-12H,3,10,13H2,1-2H3,(H,21,23).
What are the key properties of propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate?
propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate has a molecular weight of 371.39 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 28913518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).