4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one

C30H36N2O4 — CID 118284331

IUPAC4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one
SMILESCCc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCC2(CC1)COC2
InChIInChI=1S/C30H36N2O4/c1-2-22-19-25(7-10-27(22)35-18-17-31-15-12-30(13-16-31)20-34-21-30)32-14-11-28(29(32)33)36-26-8-5-24(6-9-26)23-3-4-23/h5-11,19,23H,2-4,12-18,20-21H2,1H3
InChIKeyZECBAHZJBRDQQI-UHFFFAOYSA-N
MW488.63 g/mol
LogP4.93
Rot. Bonds9

About 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one

4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one (PubChem CID 118284331) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one
PubChem CID118284331
Molecular FormulaC30H36N2O4
Molecular Weight488.63 g/mol
Exact Mass488.27
IUPAC Name4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one
SMILESCCc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCC2(CC1)COC2
InChIInChI=1S/C30H36N2O4/c1-2-22-19-25(7-10-27(22)35-18-17-31-15-12-30(13-16-31)20-34-21-30)32-14-11-28(29(32)33)36-26-8-5-24(6-9-26)23-3-4-23/h5-11,19,23H,2-4,12-18,20-21H2,1H3
InChIKeyZECBAHZJBRDQQI-UHFFFAOYSA-N
XLogP4.93
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one?
The IUPAC name of 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one (CID 118284331) is 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one is CCc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCC2(CC1)COC2.
What is the InChIKey of 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one?
The InChIKey is ZECBAHZJBRDQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O4/c1-2-22-19-25(7-10-27(22)35-18-17-31-15-12-30(13-16-31)20-34-21-30)32-14-11-28(29(32)33)36-26-8-5-24(6-9-26)23-3-4-23/h5-11,19,23H,2-4,12-18,20-21H2,1H3.
What are the key properties of 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one?
4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one has a molecular weight of 488.63 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 118284331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).