1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione

C26H30N2O3 — CID 110573052

IUPAC1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCCCCOCCCN1C(=O)C(c2ccc(C)cc2)=C(N2CCc3ccccc32)C1=O
InChIInChI=1S/C26H30N2O3/c1-3-4-17-31-18-7-15-28-25(29)23(21-12-10-19(2)11-13-21)24(26(28)30)27-16-14-20-8-5-6-9-22(20)27/h5-6,8-13H,3-4,7,14-18H2,1-2H3
InChIKeyJDKKLARXWGWJOI-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.34
Rot. Bonds9

About 1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione

1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110573052) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110573052
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCCCCOCCCN1C(=O)C(c2ccc(C)cc2)=C(N2CCc3ccccc32)C1=O
InChIInChI=1S/C26H30N2O3/c1-3-4-17-31-18-7-15-28-25(29)23(21-12-10-19(2)11-13-21)24(26(28)30)27-16-14-20-8-5-6-9-22(20)27/h5-6,8-13H,3-4,7,14-18H2,1-2H3
InChIKeyJDKKLARXWGWJOI-UHFFFAOYSA-N
XLogP4.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)-1-(3-ethoxypropyl)pyrrole-2,5-dione
CID 110547121
3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110572775
1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566421
3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione
CID 110559989
3-(2,3-dihydroindol-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione
CID 110559397
1-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110546556
N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
CID 110562565
1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560027
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110572583
3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110569294
N-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
CID 110562563
1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110560078

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110573052) is 1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione is CCCCOCCCN1C(=O)C(c2ccc(C)cc2)=C(N2CCc3ccccc32)C1=O.
What is the InChIKey of 1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is JDKKLARXWGWJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-3-4-17-31-18-7-15-28-25(29)23(21-12-10-19(2)11-13-21)24(26(28)30)27-16-14-20-8-5-6-9-22(20)27/h5-6,8-13H,3-4,7,14-18H2,1-2H3.
What are the key properties of 1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione?
1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 418.54 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110573052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).