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

C18H18N2O5 — CID 108537519

IUPAC[3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)NCCNC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C18H18N2O5/c1-12(21)25-16-7-3-5-14(11-16)18(24)20-9-8-19-17(23)13-4-2-6-15(22)10-13/h2-7,10-11,22H,8-9H2,1H3,(H,19,23)(H,20,24)
InChIKeyXYYYOWHAAZZTNC-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.48
Rot. Bonds6

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

[3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate (PubChem CID 108537519) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is [3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
PubChem CID108537519
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name[3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)NCCNC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C18H18N2O5/c1-12(21)25-16-7-3-5-14(11-16)18(24)20-9-8-19-17(23)13-4-2-6-15(22)10-13/h2-7,10-11,22H,8-9H2,1H3,(H,19,23)(H,20,24)
InChIKeyXYYYOWHAAZZTNC-UHFFFAOYSA-N
XLogP1.48
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.48
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-(3-oxobutylcarbamoyl)phenyl] acetate
CID 142810993
[3-[2-[(3,4-dimethylbenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537513
[3-(pentylcarbamoyl)phenyl] acetate
CID 89122347
[3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927899
[3-[2-(ethylsulfonylamino)ethylcarbamoyl]phenyl] acetate
CID 108570460
[3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate
CID 108929360
[3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108926915
[3-[2-[[2-(2-bromophenyl)acetyl]amino]ethylcarbamoyl]phenyl] acetate
CID 108926944
[3-[3-[(4-aminobenzoyl)amino]propylcarbamoyl]phenyl] acetate
CID 108929458
[3-[2-(3-phenoxypropanoylamino)ethylcarbamoyl]phenyl] acetate
CID 108537486
[3-[2-[(2-cyclopentylideneacetyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108926995
[3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate
CID 108926954

Frequently Asked Questions

What is the IUPAC name of [3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate?
The IUPAC name of [3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate (CID 108537519) is [3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate?
The canonical SMILES for [3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)NCCNC(=O)c2cccc(O)c2)c1.
What is the InChIKey of [3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate?
The InChIKey is XYYYOWHAAZZTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-12(21)25-16-7-3-5-14(11-16)18(24)20-9-8-19-17(23)13-4-2-6-15(22)10-13/h2-7,10-11,22H,8-9H2,1H3,(H,19,23)(H,20,24).
What are the key properties of [3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate?
[3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate has a molecular weight of 342.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 108537519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).