propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate

C14H19NO4 — CID 82316616

IUPACpropyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NCCC(=O)OC)cc1
InChIInChI=1S/C14H19NO4/c1-3-10-19-14(17)11-4-6-12(7-5-11)15-9-8-13(16)18-2/h4-7,15H,3,8-10H2,1-2H3
InChIKeyOQWUMYKCAVFWAE-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.23
Rot. Bonds7

About propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate

propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate (PubChem CID 82316616) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate
PubChem CID82316616
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namepropyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NCCC(=O)OC)cc1
InChIInChI=1S/C14H19NO4/c1-3-10-19-14(17)11-4-6-12(7-5-11)15-9-8-13(16)18-2/h4-7,15H,3,8-10H2,1-2H3
InChIKeyOQWUMYKCAVFWAE-UHFFFAOYSA-N
XLogP2.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(16-methoxy-16-oxohexadecyl)amino]benzoate
CID 21163354
4-hydroxybutyl 4-[(3-ethoxy-3-oxopropyl)amino]benzoate
CID 21163287
2-methoxyethyl 4-(2-methoxyethylamino)benzoate
CID 66962973
propyl 4-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316672
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
CID 71553925
(3-ethoxy-3-oxopropyl) 4-(hexadecylamino)benzoate
CID 23457838
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
propyl 4-[(3-hydroxy-2,2-dimethylpropyl)amino]benzoate
CID 81414678
2-(methylamino)ethyl 4-(butylamino)benzoate
CID 129194596
methyl 3-(4-amino-3-propoxyanilino)propanoate
CID 55232749
propyl 4-(pyridin-4-ylmethylamino)benzoate
CID 43217486
propyl 4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzoate
CID 54835426

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate?
The IUPAC name of propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate (CID 82316616) is propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate?
The canonical SMILES for propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate is CCCOC(=O)c1ccc(NCCC(=O)OC)cc1.
What is the InChIKey of propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate?
The InChIKey is OQWUMYKCAVFWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-10-19-14(17)11-4-6-12(7-5-11)15-9-8-13(16)18-2/h4-7,15H,3,8-10H2,1-2H3.
What are the key properties of propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate?
propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate has a molecular weight of 265.31 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(3-methoxy-3-oxopropyl)amino]benzoate is sourced from PubChem (CID 82316616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).