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

C29H34N2O5 — CID 118284316

IUPAC4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one
SMILESCOc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCC2(CC1)COC2
InChIInChI=1S/C29H34N2O5/c1-33-27-18-23(6-9-25(27)35-17-16-30-14-11-29(12-15-30)19-34-20-29)31-13-10-26(28(31)32)36-24-7-4-22(5-8-24)21-2-3-21/h4-10,18,21H,2-3,11-17,19-20H2,1H3
InChIKeyLBZIIXAQPUBETD-UHFFFAOYSA-N
MW490.60 g/mol
LogP4.37
Rot. Bonds9

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

4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one (PubChem CID 118284316) has the molecular formula C29H34N2O5 and a molecular weight of 490.60 g/mol. Its IUPAC name is 4-(4-cyclopropylphenoxy)-1-[3-methoxy-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-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one
PubChem CID118284316
Molecular FormulaC29H34N2O5
Molecular Weight490.60 g/mol
Exact Mass490.25
IUPAC Name4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one
SMILESCOc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCC2(CC1)COC2
InChIInChI=1S/C29H34N2O5/c1-33-27-18-23(6-9-25(27)35-17-16-30-14-11-29(12-15-30)19-34-20-29)31-13-10-26(28(31)32)36-24-7-4-22(5-8-24)21-2-3-21/h4-10,18,21H,2-3,11-17,19-20H2,1H3
InChIKeyLBZIIXAQPUBETD-UHFFFAOYSA-N
XLogP4.37
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylphenoxy)-1-[3-methoxy-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-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one (CID 118284316) is 4-(4-cyclopropylphenoxy)-1-[3-methoxy-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-methoxy-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-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one is COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCC2(CC1)COC2.
What is the InChIKey of 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one?
The InChIKey is LBZIIXAQPUBETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O5/c1-33-27-18-23(6-9-25(27)35-17-16-30-14-11-29(12-15-30)19-34-20-29)31-13-10-26(28(31)32)36-24-7-4-22(5-8-24)21-2-3-21/h4-10,18,21H,2-3,11-17,19-20H2,1H3.
What are the key properties of 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one?
4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one has a molecular weight of 490.60 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 118284316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).