1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-3-ethenyl-4-methylpyrrole-2,5-dione

C32H33NO5 — CID 123631928

IUPAC1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-3-ethenyl-4-methylpyrrole-2,5-dione
SMILESC=CC1=C(C)C(=O)N(CCCCOC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C1=O
InChIInChI=1S/C32H33NO5/c1-5-29-23(2)30(34)33(31(29)35)21-9-10-22-38-32(24-11-7-6-8-12-24,25-13-17-27(36-3)18-14-25)26-15-19-28(37-4)20-16-26/h5-8,11-20H,1,9-10,21-22H2,2-4H3
InChIKeyMGTQPFJPQXOFPG-UHFFFAOYSA-N
MW511.62 g/mol
LogP5.66
Rot. Bonds12

About 1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-3-ethenyl-4-methylpyrrole-2,5-dione

1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-3-ethenyl-4-methylpyrrole-2,5-dione (PubChem CID 123631928) has the molecular formula C32H33NO5 and a molecular weight of 511.62 g/mol. Its IUPAC name is 1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-3-ethenyl-4-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-3-ethenyl-4-methylpyrrole-2,5-dione
PubChem CID123631928
Molecular FormulaC32H33NO5
Molecular Weight511.62 g/mol
Exact Mass511.24
IUPAC Name1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-3-ethenyl-4-methylpyrrole-2,5-dione
SMILESC=CC1=C(C)C(=O)N(CCCCOC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C1=O
InChIInChI=1S/C32H33NO5/c1-5-29-23(2)30(34)33(31(29)35)21-9-10-22-38-32(24-11-7-6-8-12-24,25-13-17-27(36-3)18-14-25)26-15-19-28(37-4)20-16-26/h5-8,11-20H,1,9-10,21-22H2,2-4H3
InChIKeyMGTQPFJPQXOFPG-UHFFFAOYSA-N
XLogP5.66
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]isoindole-1,3-dione;ethane
CID 144822259
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CID 101094688
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
1-[3-cyclopenta-1,3-dien-1-ylpropoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 12067687
1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene
CID 175834590
1-methoxy-4-(10-trityloxydecoxymethyl)benzene
CID 11284058
[1-[bis(4-methoxyphenyl)-phenylmethoxy]-7-hydroxyundecan-6-yl] acetate
CID 162096764
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
S-(4-formylphenyl) 4-[bis(4-methoxyphenyl)-phenylmethoxy]butanethioate
CID 23508707
[(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane
CID 59381468
1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid
CID 10252950

Frequently Asked Questions

What is the IUPAC name of 1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-3-ethenyl-4-methylpyrrole-2,5-dione?
The IUPAC name of 1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-3-ethenyl-4-methylpyrrole-2,5-dione (CID 123631928) is 1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-3-ethenyl-4-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-3-ethenyl-4-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-3-ethenyl-4-methylpyrrole-2,5-dione is C=CC1=C(C)C(=O)N(CCCCOC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C1=O.
What is the InChIKey of 1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-3-ethenyl-4-methylpyrrole-2,5-dione?
The InChIKey is MGTQPFJPQXOFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO5/c1-5-29-23(2)30(34)33(31(29)35)21-9-10-22-38-32(24-11-7-6-8-12-24,25-13-17-27(36-3)18-14-25)26-15-19-28(37-4)20-16-26/h5-8,11-20H,1,9-10,21-22H2,2-4H3.
What are the key properties of 1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-3-ethenyl-4-methylpyrrole-2,5-dione?
1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-3-ethenyl-4-methylpyrrole-2,5-dione has a molecular weight of 511.62 g/mol, XLogP of 5.66, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-3-ethenyl-4-methylpyrrole-2,5-dione is sourced from PubChem (CID 123631928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).