acetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate

C22H20N2O5 — CID 139794426

IUPACacetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate
SMILESCC(=O)NOC(=O)Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C22H20N2O5/c1-16(25)24-29-22(26)13-18-7-12-21(23-14-18)28-20-10-8-19(9-11-20)27-15-17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3,(H,24,25)
InChIKeyZFFNZMQAZHLBJN-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.59
Rot. Bonds7

About acetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate

acetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate (PubChem CID 139794426) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is acetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate.

Molecular Properties

Compound Nameacetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate
PubChem CID139794426
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Nameacetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate
SMILESCC(=O)NOC(=O)Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C22H20N2O5/c1-16(25)24-29-22(26)13-18-7-12-21(23-14-18)28-20-10-8-19(9-11-20)27-15-17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3,(H,24,25)
InChIKeyZFFNZMQAZHLBJN-UHFFFAOYSA-N
XLogP3.59
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoic acid
CID 22484910
acetamido 4-phenylmethoxybenzoate
CID 174287466
methyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate
CID 20602808
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
ethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol
CID 167499413
6-(4-phenylmethoxyphenoxy)pyridine-3-carbaldehyde
CID 172879447
2-[[2-[6-[4-[(4-cyanophenyl)methoxy]phenoxy]-3-pyridinyl]acetyl]amino]benzoic acid
CID 148775591
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067
methyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate
CID 20602818
2-[3-butoxy-5-[(6-phenoxy-3-pyridinyl)methoxy]phenyl]acetic acid
CID 59820366
5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine
CID 172879468
methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate
CID 20602835

Frequently Asked Questions

What is the IUPAC name of acetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate?
The IUPAC name of acetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate (CID 139794426) is acetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate.
What is the SMILES notation for acetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate?
The canonical SMILES for acetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate is CC(=O)NOC(=O)Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1.
What is the InChIKey of acetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate?
The InChIKey is ZFFNZMQAZHLBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-16(25)24-29-22(26)13-18-7-12-21(23-14-18)28-20-10-8-19(9-11-20)27-15-17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3,(H,24,25).
What are the key properties of acetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate?
acetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate has a molecular weight of 392.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate is sourced from PubChem (CID 139794426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).