ethyl 3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate

C24H31NO2 — CID 78324789

IUPACethyl 3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1
InChIInChI=1S/C24H31NO2/c1-3-27-24(26)15-10-20-6-11-22(12-7-20)23-13-8-21(9-14-23)16-18-25-17-4-5-19(25)2/h6-9,11-14,19H,3-5,10,15-18H2,1-2H3/t19-/m1/s1
InChIKeyIWYOPNLGILOBQE-LJQANCHMSA-N
MW365.52 g/mol
LogP4.88
Rot. Bonds8

About ethyl 3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate

ethyl 3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate (PubChem CID 78324789) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is ethyl 3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate
PubChem CID78324789
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Nameethyl 3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1
InChIInChI=1S/C24H31NO2/c1-3-27-24(26)15-10-20-6-11-22(12-7-20)23-13-8-21(9-14-23)16-18-25-17-4-5-19(25)2/h6-9,11-14,19H,3-5,10,15-18H2,1-2H3/t19-/m1/s1
InChIKeyIWYOPNLGILOBQE-LJQANCHMSA-N
XLogP4.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate?
The IUPAC name of ethyl 3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate (CID 78324789) is ethyl 3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate is CCOC(=O)CCc1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1.
What is the InChIKey of ethyl 3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate?
The InChIKey is IWYOPNLGILOBQE-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31NO2/c1-3-27-24(26)15-10-20-6-11-22(12-7-20)23-13-8-21(9-14-23)16-18-25-17-4-5-19(25)2/h6-9,11-14,19H,3-5,10,15-18H2,1-2H3/t19-/m1/s1.
What are the key properties of ethyl 3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate?
ethyl 3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate has a molecular weight of 365.52 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate is sourced from PubChem (CID 78324789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).