[4-[(2-aminoacetyl)oxymethyl]phenyl] 2-phenylacetate

C17H17NO4 — CID 91451139

IUPAC[4-[(2-aminoacetyl)oxymethyl]phenyl] 2-phenylacetate
SMILESNCC(=O)OCc1ccc(OC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H17NO4/c18-11-17(20)21-12-14-6-8-15(9-7-14)22-16(19)10-13-4-2-1-3-5-13/h1-9H,10-12,18H2
InChIKeyYUOXZURRSGAAIE-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.84
Rot. Bonds6

About [4-[(2-aminoacetyl)oxymethyl]phenyl] 2-phenylacetate

[4-[(2-aminoacetyl)oxymethyl]phenyl] 2-phenylacetate (PubChem CID 91451139) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [4-[(2-aminoacetyl)oxymethyl]phenyl] 2-phenylacetate.

Molecular Properties

Compound Name[4-[(2-aminoacetyl)oxymethyl]phenyl] 2-phenylacetate
PubChem CID91451139
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[4-[(2-aminoacetyl)oxymethyl]phenyl] 2-phenylacetate
SMILESNCC(=O)OCc1ccc(OC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H17NO4/c18-11-17(20)21-12-14-6-8-15(9-7-14)22-16(19)10-13-4-2-1-3-5-13/h1-9H,10-12,18H2
InChIKeyYUOXZURRSGAAIE-UHFFFAOYSA-N
XLogP1.84
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-aminoacetyl)oxymethyl]phenyl] 2-phenylacetate?
The IUPAC name of [4-[(2-aminoacetyl)oxymethyl]phenyl] 2-phenylacetate (CID 91451139) is [4-[(2-aminoacetyl)oxymethyl]phenyl] 2-phenylacetate.
What is the SMILES notation for [4-[(2-aminoacetyl)oxymethyl]phenyl] 2-phenylacetate?
The canonical SMILES for [4-[(2-aminoacetyl)oxymethyl]phenyl] 2-phenylacetate is NCC(=O)OCc1ccc(OC(=O)Cc2ccccc2)cc1.
What is the InChIKey of [4-[(2-aminoacetyl)oxymethyl]phenyl] 2-phenylacetate?
The InChIKey is YUOXZURRSGAAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c18-11-17(20)21-12-14-6-8-15(9-7-14)22-16(19)10-13-4-2-1-3-5-13/h1-9H,10-12,18H2.
What are the key properties of [4-[(2-aminoacetyl)oxymethyl]phenyl] 2-phenylacetate?
[4-[(2-aminoacetyl)oxymethyl]phenyl] 2-phenylacetate has a molecular weight of 299.33 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-aminoacetyl)oxymethyl]phenyl] 2-phenylacetate is sourced from PubChem (CID 91451139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).