phenylmethoxymethyl 2-(4-aminophenoxy)acetate

C16H17NO4 — CID 102940304

IUPACphenylmethoxymethyl 2-(4-aminophenoxy)acetate
SMILESNc1ccc(OCC(=O)OCOCc2ccccc2)cc1
InChIInChI=1S/C16H17NO4/c17-14-6-8-15(9-7-14)20-11-16(18)21-12-19-10-13-4-2-1-3-5-13/h1-9H,10-12,17H2
InChIKeyUWEKPWCNDGJPNK-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.37
Rot. Bonds7

About phenylmethoxymethyl 2-(4-aminophenoxy)acetate

phenylmethoxymethyl 2-(4-aminophenoxy)acetate (PubChem CID 102940304) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is phenylmethoxymethyl 2-(4-aminophenoxy)acetate.

Molecular Properties

Compound Namephenylmethoxymethyl 2-(4-aminophenoxy)acetate
PubChem CID102940304
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Namephenylmethoxymethyl 2-(4-aminophenoxy)acetate
SMILESNc1ccc(OCC(=O)OCOCc2ccccc2)cc1
InChIInChI=1S/C16H17NO4/c17-14-6-8-15(9-7-14)20-11-16(18)21-12-19-10-13-4-2-1-3-5-13/h1-9H,10-12,17H2
InChIKeyUWEKPWCNDGJPNK-UHFFFAOYSA-N
XLogP2.37
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-(4-iodophenoxy)acetate
CID 70249415
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
4-phenylmethoxyaniline
CID 159966727
(4-fluorophenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321388
(4-methylphenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321197
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
bis[[2-(4-aminophenoxy)acetyl]oxymethyl] hexanedioate
CID 59445400
4-(phenylmethoxymethoxy)benzoic acid
CID 102939337
benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate
CID 67246007
2-[4-(phenylmethoxymethoxy)phenyl]acetic acid
CID 102939339
phenylmethoxymethyl 2-(3-aminophenyl)acetate
CID 102940348
(1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate
CID 2555543

Frequently Asked Questions

What is the IUPAC name of phenylmethoxymethyl 2-(4-aminophenoxy)acetate?
The IUPAC name of phenylmethoxymethyl 2-(4-aminophenoxy)acetate (CID 102940304) is phenylmethoxymethyl 2-(4-aminophenoxy)acetate.
What is the SMILES notation for phenylmethoxymethyl 2-(4-aminophenoxy)acetate?
The canonical SMILES for phenylmethoxymethyl 2-(4-aminophenoxy)acetate is Nc1ccc(OCC(=O)OCOCc2ccccc2)cc1.
What is the InChIKey of phenylmethoxymethyl 2-(4-aminophenoxy)acetate?
The InChIKey is UWEKPWCNDGJPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c17-14-6-8-15(9-7-14)20-11-16(18)21-12-19-10-13-4-2-1-3-5-13/h1-9H,10-12,17H2.
What are the key properties of phenylmethoxymethyl 2-(4-aminophenoxy)acetate?
phenylmethoxymethyl 2-(4-aminophenoxy)acetate has a molecular weight of 287.31 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxymethyl 2-(4-aminophenoxy)acetate is sourced from PubChem (CID 102940304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).