methyl 4-methoxy-1-(4-phenyloxane-4-carbonyl)pyrrolidine-2-carboxylate

C19H25NO5 — CID 86264531

IUPACmethyl 4-methoxy-1-(4-phenyloxane-4-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(OC)CN1C(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H25NO5/c1-23-15-12-16(17(21)24-2)20(13-15)18(22)19(8-10-25-11-9-19)14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3
InChIKeyAEUBUWQOXQRXAM-UHFFFAOYSA-N
MW347.41 g/mol
LogP1.52
Rot. Bonds4

About methyl 4-methoxy-1-(4-phenyloxane-4-carbonyl)pyrrolidine-2-carboxylate

methyl 4-methoxy-1-(4-phenyloxane-4-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 86264531) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is methyl 4-methoxy-1-(4-phenyloxane-4-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-1-(4-phenyloxane-4-carbonyl)pyrrolidine-2-carboxylate
PubChem CID86264531
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Namemethyl 4-methoxy-1-(4-phenyloxane-4-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(OC)CN1C(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H25NO5/c1-23-15-12-16(17(21)24-2)20(13-15)18(22)19(8-10-25-11-9-19)14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3
InChIKeyAEUBUWQOXQRXAM-UHFFFAOYSA-N
XLogP1.52
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-1-(4-phenyloxane-4-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-methoxy-1-(4-phenyloxane-4-carbonyl)pyrrolidine-2-carboxylate (CID 86264531) is methyl 4-methoxy-1-(4-phenyloxane-4-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-1-(4-phenyloxane-4-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-1-(4-phenyloxane-4-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(OC)CN1C(=O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of methyl 4-methoxy-1-(4-phenyloxane-4-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is AEUBUWQOXQRXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-23-15-12-16(17(21)24-2)20(13-15)18(22)19(8-10-25-11-9-19)14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3.
What are the key properties of methyl 4-methoxy-1-(4-phenyloxane-4-carbonyl)pyrrolidine-2-carboxylate?
methyl 4-methoxy-1-(4-phenyloxane-4-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 347.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-1-(4-phenyloxane-4-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 86264531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).