[3-(2-phenoxybutanoylamino)phenyl] acetate

C18H19NO4 — CID 17341786

IUPAC[3-(2-phenoxybutanoylamino)phenyl] acetate
SMILESCCC(Oc1ccccc1)C(=O)Nc1cccc(OC(C)=O)c1
InChIInChI=1S/C18H19NO4/c1-3-17(23-15-9-5-4-6-10-15)18(21)19-14-8-7-11-16(12-14)22-13(2)20/h4-12,17H,3H2,1-2H3,(H,19,21)
InChIKeySDIRLMOJGRHAGA-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.41
Rot. Bonds6

About [3-(2-phenoxybutanoylamino)phenyl] acetate

[3-(2-phenoxybutanoylamino)phenyl] acetate (PubChem CID 17341786) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [3-(2-phenoxybutanoylamino)phenyl] acetate.

Molecular Properties

Compound Name[3-(2-phenoxybutanoylamino)phenyl] acetate
PubChem CID17341786
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[3-(2-phenoxybutanoylamino)phenyl] acetate
SMILESCCC(Oc1ccccc1)C(=O)Nc1cccc(OC(C)=O)c1
InChIInChI=1S/C18H19NO4/c1-3-17(23-15-9-5-4-6-10-15)18(21)19-14-8-7-11-16(12-14)22-13(2)20/h4-12,17H,3H2,1-2H3,(H,19,21)
InChIKeySDIRLMOJGRHAGA-UHFFFAOYSA-N
XLogP3.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43905698
N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide
CID 2932623
2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17096805
[3-[(2,2-diphenylacetyl)amino]phenyl] acetate
CID 1252597
2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
CID 17222894
(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
CID 41228638
(2R)-2-(4-ethylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 99132919
(2R)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 38010628

Frequently Asked Questions

What is the IUPAC name of [3-(2-phenoxybutanoylamino)phenyl] acetate?
The IUPAC name of [3-(2-phenoxybutanoylamino)phenyl] acetate (CID 17341786) is [3-(2-phenoxybutanoylamino)phenyl] acetate.
What is the SMILES notation for [3-(2-phenoxybutanoylamino)phenyl] acetate?
The canonical SMILES for [3-(2-phenoxybutanoylamino)phenyl] acetate is CCC(Oc1ccccc1)C(=O)Nc1cccc(OC(C)=O)c1.
What is the InChIKey of [3-(2-phenoxybutanoylamino)phenyl] acetate?
The InChIKey is SDIRLMOJGRHAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-17(23-15-9-5-4-6-10-15)18(21)19-14-8-7-11-16(12-14)22-13(2)20/h4-12,17H,3H2,1-2H3,(H,19,21).
What are the key properties of [3-(2-phenoxybutanoylamino)phenyl] acetate?
[3-(2-phenoxybutanoylamino)phenyl] acetate has a molecular weight of 313.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-phenoxybutanoylamino)phenyl] acetate is sourced from PubChem (CID 17341786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).