methyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate

C29H26N2O5 — CID 20602818

IUPACmethyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1ccc(Oc2ccc(OCCc3ccccc3)cc2)nc1
InChIInChI=1S/C29H26N2O5/c1-34-29(33)25-9-5-6-10-26(25)31-27(32)19-22-11-16-28(30-20-22)36-24-14-12-23(13-15-24)35-18-17-21-7-3-2-4-8-21/h2-16,20H,17-19H2,1H3,(H,31,32)
InChIKeyWJIJCPCVQHJYGL-UHFFFAOYSA-N
MW482.54 g/mol
LogP5.46
Rot. Bonds10

About methyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate

methyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate (PubChem CID 20602818) has the molecular formula C29H26N2O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is methyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate
PubChem CID20602818
Molecular FormulaC29H26N2O5
Molecular Weight482.54 g/mol
Exact Mass482.18
IUPAC Namemethyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1ccc(Oc2ccc(OCCc3ccccc3)cc2)nc1
InChIInChI=1S/C29H26N2O5/c1-34-29(33)25-9-5-6-10-26(25)31-27(32)19-22-11-16-28(30-20-22)36-24-14-12-23(13-15-24)35-18-17-21-7-3-2-4-8-21/h2-16,20H,17-19H2,1H3,(H,31,32)
InChIKeyWJIJCPCVQHJYGL-UHFFFAOYSA-N
XLogP5.46
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[2-[6-[4-(2-bromoethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate
CID 20602799
methyl 2-[[2-[6-[6-[2-(4-fluorophenyl)ethoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate
CID 20602823
2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoic acid
CID 22484910
methyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate
CID 20602808
methyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate
CID 20602820
methyl 2-[[2-[6-[6-[(4-chlorophenyl)methoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate
CID 20602830
methyl 2-[[2-[6-[6-[(E)-but-2-enoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate
CID 20602840
2-[[2-[6-[4-[(4-cyanophenyl)methoxy]phenoxy]-3-pyridinyl]acetyl]amino]benzoic acid
CID 148775591
2-[[2-[6-[4-(2-methoxyethoxy)phenoxy]-3-pyridinyl]acetyl]amino]-5-methylbenzoic acid
CID 20602135
methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate
CID 20602835
2-[[2-[6-(4-cyclopentyloxyphenoxy)-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602350
2-[[2-[6-(4-pentan-3-ylsulfonylphenoxy)-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602078

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate (CID 20602818) is methyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cc1ccc(Oc2ccc(OCCc3ccccc3)cc2)nc1.
What is the InChIKey of methyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate?
The InChIKey is WJIJCPCVQHJYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O5/c1-34-29(33)25-9-5-6-10-26(25)31-27(32)19-22-11-16-28(30-20-22)36-24-14-12-23(13-15-24)35-18-17-21-7-3-2-4-8-21/h2-16,20H,17-19H2,1H3,(H,31,32).
What are the key properties of methyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate?
methyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate has a molecular weight of 482.54 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate is sourced from PubChem (CID 20602818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).