propyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate

C20H29NO4 — CID 10360335

IUPACpropyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(c2ccc(OC)c(OC3CCCC3)c2)C1
InChIInChI=1S/C20H29NO4/c1-3-12-24-20(22)21-11-10-16(14-21)15-8-9-18(23-2)19(13-15)25-17-6-4-5-7-17/h8-9,13,16-17H,3-7,10-12,14H2,1-2H3
InChIKeyCCRLYVKNQFEDJB-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.35
Rot. Bonds6

About propyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate

propyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate (PubChem CID 10360335) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is propyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
PubChem CID10360335
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Namepropyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(c2ccc(OC)c(OC3CCCC3)c2)C1
InChIInChI=1S/C20H29NO4/c1-3-12-24-20(22)21-11-10-16(14-21)15-8-9-18(23-2)19(13-15)25-17-6-4-5-7-17/h8-9,13,16-17H,3-7,10-12,14H2,1-2H3
InChIKeyCCRLYVKNQFEDJB-UHFFFAOYSA-N
XLogP4.35
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate?
The IUPAC name of propyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate (CID 10360335) is propyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for propyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate?
The canonical SMILES for propyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate is CCCOC(=O)N1CCC(c2ccc(OC)c(OC3CCCC3)c2)C1.
What is the InChIKey of propyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate?
The InChIKey is CCRLYVKNQFEDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-3-12-24-20(22)21-11-10-16(14-21)15-8-9-18(23-2)19(13-15)25-17-6-4-5-7-17/h8-9,13,16-17H,3-7,10-12,14H2,1-2H3.
What are the key properties of propyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate?
propyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 10360335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).