propyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate

C21H25NO5 — CID 17139559

IUPACpropyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cccc(OCCOCC)c2)cc1
InChIInChI=1S/C21H25NO5/c1-3-12-27-21(24)16-8-10-18(11-9-16)22-20(23)17-6-5-7-19(15-17)26-14-13-25-4-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,22,23)
InChIKeyUUZLGHCJFNHFLT-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.92
Rot. Bonds10

About propyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate

propyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate (PubChem CID 17139559) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is propyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate
PubChem CID17139559
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Namepropyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cccc(OCCOCC)c2)cc1
InChIInChI=1S/C21H25NO5/c1-3-12-27-21(24)16-8-10-18(11-9-16)22-20(23)17-6-5-7-19(15-17)26-14-13-25-4-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,22,23)
InChIKeyUUZLGHCJFNHFLT-UHFFFAOYSA-N
XLogP3.92
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamoylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139541
N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139535
N-(4-acetamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139517
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482
3-(2-ethoxyethoxy)-N-[4-(ethylcarbamoyl)phenyl]benzamide
CID 17234430
methyl 4-[(3-propoxybenzoyl)amino]benzoate
CID 2293242
N-[4-(dimethylcarbamoyl)phenyl]-3-(2-ethoxyethoxy)benzamide
CID 17231253
3-(2-ethoxyethoxy)-N-(4-phenoxyphenyl)benzamide
CID 17139540
N-(3-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 2238701
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139550
N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide
CID 19628765

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate?
The IUPAC name of propyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate (CID 17139559) is propyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate?
The canonical SMILES for propyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2cccc(OCCOCC)c2)cc1.
What is the InChIKey of propyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate?
The InChIKey is UUZLGHCJFNHFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-3-12-27-21(24)16-8-10-18(11-9-16)22-20(23)17-6-5-7-19(15-17)26-14-13-25-4-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,22,23).
What are the key properties of propyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate?
propyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate has a molecular weight of 371.43 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[3-(2-ethoxyethoxy)benzoyl]amino]benzoate is sourced from PubChem (CID 17139559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).