methyl 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoate

C32H33NO3 — CID 46244686

IUPACmethyl 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoate
SMILESCOC(=O)C(CCCc1ccccc1)CCc1ccc(-c2ccccc2)c(-c2cccnc2OC)c1
InChIInChI=1S/C32H33NO3/c1-35-31-29(17-10-22-33-31)30-23-25(19-21-28(30)26-14-7-4-8-15-26)18-20-27(32(34)36-2)16-9-13-24-11-5-3-6-12-24/h3-8,10-12,14-15,17,19,21-23,27H,9,13,16,18,20H2,1-2H3
InChIKeyYDSNIDCPTNPCKG-UHFFFAOYSA-N
MW479.62 g/mol
LogP7.17
Rot. Bonds11

About methyl 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoate

methyl 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoate (PubChem CID 46244686) has the molecular formula C32H33NO3 and a molecular weight of 479.62 g/mol. Its IUPAC name is methyl 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoate
PubChem CID46244686
Molecular FormulaC32H33NO3
Molecular Weight479.62 g/mol
Exact Mass479.25
IUPAC Namemethyl 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoate
SMILESCOC(=O)C(CCCc1ccccc1)CCc1ccc(-c2ccccc2)c(-c2cccnc2OC)c1
InChIInChI=1S/C32H33NO3/c1-35-31-29(17-10-22-33-31)30-23-25(19-21-28(30)26-14-7-4-8-15-26)18-20-27(32(34)36-2)16-9-13-24-11-5-3-6-12-24/h3-8,10-12,14-15,17,19,21-23,27H,9,13,16,18,20H2,1-2H3
InChIKeyYDSNIDCPTNPCKG-UHFFFAOYSA-N
XLogP7.17
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.62
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoate?
The IUPAC name of methyl 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoate (CID 46244686) is methyl 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoate.
What is the SMILES notation for methyl 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoate?
The canonical SMILES for methyl 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoate is COC(=O)C(CCCc1ccccc1)CCc1ccc(-c2ccccc2)c(-c2cccnc2OC)c1.
What is the InChIKey of methyl 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoate?
The InChIKey is YDSNIDCPTNPCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO3/c1-35-31-29(17-10-22-33-31)30-23-25(19-21-28(30)26-14-7-4-8-15-26)18-20-27(32(34)36-2)16-9-13-24-11-5-3-6-12-24/h3-8,10-12,14-15,17,19,21-23,27H,9,13,16,18,20H2,1-2H3.
What are the key properties of methyl 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoate?
methyl 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoate has a molecular weight of 479.62 g/mol, XLogP of 7.17, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[3-(2-methoxy-3-pyridinyl)-4-phenylphenyl]ethyl]-5-phenylpentanoate is sourced from PubChem (CID 46244686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).