ethyl 2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methoxy]acetate

C24H31NO3 — CID 78324475

IUPACethyl 2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methoxy]acetate
SMILESCCOC(=O)COCc1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1
InChIInChI=1S/C24H31NO3/c1-3-28-24(26)18-27-17-21-8-12-23(13-9-21)22-10-6-20(7-11-22)14-16-25-15-4-5-19(25)2/h6-13,19H,3-5,14-18H2,1-2H3/t19-/m1/s1
InChIKeyVGGWQMVERJCXME-LJQANCHMSA-N
MW381.52 g/mol
LogP4.46
Rot. Bonds9

About ethyl 2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methoxy]acetate

ethyl 2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methoxy]acetate (PubChem CID 78324475) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is ethyl 2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methoxy]acetate
PubChem CID78324475
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Nameethyl 2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methoxy]acetate
SMILESCCOC(=O)COCc1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1
InChIInChI=1S/C24H31NO3/c1-3-28-24(26)18-27-17-21-8-12-23(13-9-21)22-10-6-20(7-11-22)14-16-25-15-4-5-19(25)2/h6-13,19H,3-5,14-18H2,1-2H3/t19-/m1/s1
InChIKeyVGGWQMVERJCXME-LJQANCHMSA-N
XLogP4.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methoxy]acetate?
The IUPAC name of ethyl 2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methoxy]acetate (CID 78324475) is ethyl 2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methoxy]acetate.
What is the SMILES notation for ethyl 2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methoxy]acetate?
The canonical SMILES for ethyl 2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methoxy]acetate is CCOC(=O)COCc1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1.
What is the InChIKey of ethyl 2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methoxy]acetate?
The InChIKey is VGGWQMVERJCXME-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31NO3/c1-3-28-24(26)18-27-17-21-8-12-23(13-9-21)22-10-6-20(7-11-22)14-16-25-15-4-5-19(25)2/h6-13,19H,3-5,14-18H2,1-2H3/t19-/m1/s1.
What are the key properties of ethyl 2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methoxy]acetate?
ethyl 2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methoxy]acetate has a molecular weight of 381.52 g/mol, XLogP of 4.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methoxy]acetate is sourced from PubChem (CID 78324475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).