4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one

C26H30N2O6 — CID 3238398

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2C(C(=O)N3CCC4(CC3)OCCO4)CC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H30N2O6/c1-31-20-7-3-18(4-8-20)24-22(17-23(29)28(24)19-5-9-21(32-2)10-6-19)25(30)27-13-11-26(12-14-27)33-15-16-34-26/h3-10,22,24H,11-17H2,1-2H3
InChIKeyMTMVBBGLRLDOEF-UHFFFAOYSA-N
MW466.53 g/mol
LogP3.16
Rot. Bonds5

About 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 3238398) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one
PubChem CID3238398
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2C(C(=O)N3CCC4(CC3)OCCO4)CC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H30N2O6/c1-31-20-7-3-18(4-8-20)24-22(17-23(29)28(24)19-5-9-21(32-2)10-6-19)25(30)27-13-11-26(12-14-27)33-15-16-34-26/h3-10,22,24H,11-17H2,1-2H3
InChIKeyMTMVBBGLRLDOEF-UHFFFAOYSA-N
XLogP3.16
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one (CID 3238398) is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one is COc1ccc(C2C(C(=O)N3CCC4(CC3)OCCO4)CC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is MTMVBBGLRLDOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6/c1-31-20-7-3-18(4-8-20)24-22(17-23(29)28(24)19-5-9-21(32-2)10-6-19)25(30)27-13-11-26(12-14-27)33-15-16-34-26/h3-10,22,24H,11-17H2,1-2H3.
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one?
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 466.53 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,5-bis(4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 3238398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).