[3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate

C19H20N2O5 — CID 108929360

IUPAC[3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)NCCCNC(=O)c2ccccc2O)c1
InChIInChI=1S/C19H20N2O5/c1-13(22)26-15-7-4-6-14(12-15)18(24)20-10-5-11-21-19(25)16-8-2-3-9-17(16)23/h2-4,6-9,12,23H,5,10-11H2,1H3,(H,20,24)(H,21,25)
InChIKeyCVKIGAWFXIPHSX-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.87
Rot. Bonds7

About [3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate

[3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate (PubChem CID 108929360) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate
PubChem CID108929360
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)NCCCNC(=O)c2ccccc2O)c1
InChIInChI=1S/C19H20N2O5/c1-13(22)26-15-7-4-6-14(12-15)18(24)20-10-5-11-21-19(25)16-8-2-3-9-17(16)23/h2-4,6-9,12,23H,5,10-11H2,1H3,(H,20,24)(H,21,25)
InChIKeyCVKIGAWFXIPHSX-UHFFFAOYSA-N
XLogP1.87
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(pentylcarbamoyl)phenyl] acetate
CID 89122347
[3-[3-[(4-aminobenzoyl)amino]propylcarbamoyl]phenyl] acetate
CID 108929458
[3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537519
[3-(3-oxobutylcarbamoyl)phenyl] acetate
CID 142810993
2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide
CID 51105782
[3-[2-[(3,4-dimethylbenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537513
[3-[3-[3-(2-chlorophenyl)propanoylamino]propylcarbamoyl]phenyl] acetate
CID 108929475
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
[3-[2-[[2-(2-bromophenyl)acetyl]amino]ethylcarbamoyl]phenyl] acetate
CID 108926944
[3-[2-(ethylsulfonylamino)ethylcarbamoyl]phenyl] acetate
CID 108570460
[3-[2-(3-phenoxypropanoylamino)ethylcarbamoyl]phenyl] acetate
CID 108537486
[3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]propylcarbamoyl]phenyl] acetate
CID 108929501

Frequently Asked Questions

What is the IUPAC name of [3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate?
The IUPAC name of [3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate (CID 108929360) is [3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate?
The canonical SMILES for [3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)NCCCNC(=O)c2ccccc2O)c1.
What is the InChIKey of [3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate?
The InChIKey is CVKIGAWFXIPHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-13(22)26-15-7-4-6-14(12-15)18(24)20-10-5-11-21-19(25)16-8-2-3-9-17(16)23/h2-4,6-9,12,23H,5,10-11H2,1H3,(H,20,24)(H,21,25).
What are the key properties of [3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate?
[3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate has a molecular weight of 356.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 108929360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).