15-[4-(3,4-dimethoxyphenyl)butyl]-19-(5-phenylpentyl)-1,6,9,14-tetraoxa-15,19-diazadispiro[6.0.68.57]nonadeca-3,11-diene-2,5,10,13-tetrone

C36H42N2O10 — CID 139680196

IUPAC15-[4-(3,4-dimethoxyphenyl)butyl]-19-(5-phenylpentyl)-1,6,9,14-tetraoxa-15,19-diazadispiro[6.0.68.57]nonadeca-3,11-diene-2,5,10,13-tetrone
SMILESCOc1ccc(CCCCN2CCCN(CCCCCc3ccccc3)C3(OC(=O)C=CC(=O)O3)C23OC(=O)C=CC(=O)O3)cc1OC
InChIInChI=1S/C36H42N2O10/c1-43-29-17-16-28(26-30(29)44-2)15-8-10-23-38-25-11-24-37(22-9-4-7-14-27-12-5-3-6-13-27)35(45-31(39)18-19-32(40)46-35)36(38)47-33(41)20-21-34(42)48-36/h3,5-6,12-13,16-21,26H,4,7-11,14-15,22-25H2,1-2H3
InChIKeyDZKXHASOGSNPBK-UHFFFAOYSA-N
MW662.74 g/mol
LogP4.07
Rot. Bonds13

About 15-[4-(3,4-dimethoxyphenyl)butyl]-19-(5-phenylpentyl)-1,6,9,14-tetraoxa-15,19-diazadispiro[6.0.68.57]nonadeca-3,11-diene-2,5,10,13-tetrone

15-[4-(3,4-dimethoxyphenyl)butyl]-19-(5-phenylpentyl)-1,6,9,14-tetraoxa-15,19-diazadispiro[6.0.68.57]nonadeca-3,11-diene-2,5,10,13-tetrone (PubChem CID 139680196) has the molecular formula C36H42N2O10 and a molecular weight of 662.74 g/mol. Its IUPAC name is 15-[4-(3,4-dimethoxyphenyl)butyl]-19-(5-phenylpentyl)-1,6,9,14-tetraoxa-15,19-diazadispiro[6.0.68.57]nonadeca-3,11-diene-2,5,10,13-tetrone.

Molecular Properties

Compound Name15-[4-(3,4-dimethoxyphenyl)butyl]-19-(5-phenylpentyl)-1,6,9,14-tetraoxa-15,19-diazadispiro[6.0.68.57]nonadeca-3,11-diene-2,5,10,13-tetrone
PubChem CID139680196
Molecular FormulaC36H42N2O10
Molecular Weight662.74 g/mol
Exact Mass662.28
IUPAC Name15-[4-(3,4-dimethoxyphenyl)butyl]-19-(5-phenylpentyl)-1,6,9,14-tetraoxa-15,19-diazadispiro[6.0.68.57]nonadeca-3,11-diene-2,5,10,13-tetrone
SMILESCOc1ccc(CCCCN2CCCN(CCCCCc3ccccc3)C3(OC(=O)C=CC(=O)O3)C23OC(=O)C=CC(=O)O3)cc1OC
InChIInChI=1S/C36H42N2O10/c1-43-29-17-16-28(26-30(29)44-2)15-8-10-23-38-25-11-24-37(22-9-4-7-14-27-12-5-3-6-13-27)35(45-31(39)18-19-32(40)46-35)36(38)47-33(41)20-21-34(42)48-36/h3,5-6,12-13,16-21,26H,4,7-11,14-15,22-25H2,1-2H3
InChIKeyDZKXHASOGSNPBK-UHFFFAOYSA-N
XLogP4.07
TPSA130.14 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.74
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 15-[4-(3,4-dimethoxyphenyl)butyl]-19-(5-phenylpentyl)-1,6,9,14-tetraoxa-15,19-diazadispiro[6.0.68.57]nonadeca-3,11-diene-2,5,10,13-tetrone with MolForge

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Related Compounds

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6-[4-methoxy-3-(5-phenylpentoxy)phenyl]-3,6-dimethyl-1,3-oxazinan-2-one
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CID 23525570
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 117026469
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CID 7139445
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide
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(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51405841
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CID 10859894

Frequently Asked Questions

What is the IUPAC name of 15-[4-(3,4-dimethoxyphenyl)butyl]-19-(5-phenylpentyl)-1,6,9,14-tetraoxa-15,19-diazadispiro[6.0.68.57]nonadeca-3,11-diene-2,5,10,13-tetrone?
The IUPAC name of 15-[4-(3,4-dimethoxyphenyl)butyl]-19-(5-phenylpentyl)-1,6,9,14-tetraoxa-15,19-diazadispiro[6.0.68.57]nonadeca-3,11-diene-2,5,10,13-tetrone (CID 139680196) is 15-[4-(3,4-dimethoxyphenyl)butyl]-19-(5-phenylpentyl)-1,6,9,14-tetraoxa-15,19-diazadispiro[6.0.68.57]nonadeca-3,11-diene-2,5,10,13-tetrone.
What is the SMILES notation for 15-[4-(3,4-dimethoxyphenyl)butyl]-19-(5-phenylpentyl)-1,6,9,14-tetraoxa-15,19-diazadispiro[6.0.68.57]nonadeca-3,11-diene-2,5,10,13-tetrone?
The canonical SMILES for 15-[4-(3,4-dimethoxyphenyl)butyl]-19-(5-phenylpentyl)-1,6,9,14-tetraoxa-15,19-diazadispiro[6.0.68.57]nonadeca-3,11-diene-2,5,10,13-tetrone is COc1ccc(CCCCN2CCCN(CCCCCc3ccccc3)C3(OC(=O)C=CC(=O)O3)C23OC(=O)C=CC(=O)O3)cc1OC.
What is the InChIKey of 15-[4-(3,4-dimethoxyphenyl)butyl]-19-(5-phenylpentyl)-1,6,9,14-tetraoxa-15,19-diazadispiro[6.0.68.57]nonadeca-3,11-diene-2,5,10,13-tetrone?
The InChIKey is DZKXHASOGSNPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N2O10/c1-43-29-17-16-28(26-30(29)44-2)15-8-10-23-38-25-11-24-37(22-9-4-7-14-27-12-5-3-6-13-27)35(45-31(39)18-19-32(40)46-35)36(38)47-33(41)20-21-34(42)48-36/h3,5-6,12-13,16-21,26H,4,7-11,14-15,22-25H2,1-2H3.
What are the key properties of 15-[4-(3,4-dimethoxyphenyl)butyl]-19-(5-phenylpentyl)-1,6,9,14-tetraoxa-15,19-diazadispiro[6.0.68.57]nonadeca-3,11-diene-2,5,10,13-tetrone?
15-[4-(3,4-dimethoxyphenyl)butyl]-19-(5-phenylpentyl)-1,6,9,14-tetraoxa-15,19-diazadispiro[6.0.68.57]nonadeca-3,11-diene-2,5,10,13-tetrone has a molecular weight of 662.74 g/mol, XLogP of 4.07, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[4-(3,4-dimethoxyphenyl)butyl]-19-(5-phenylpentyl)-1,6,9,14-tetraoxa-15,19-diazadispiro[6.0.68.57]nonadeca-3,11-diene-2,5,10,13-tetrone is sourced from PubChem (CID 139680196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).