1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H29NO5 — CID 18880614

IUPAC1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCOc1ccc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCOC)cc1
InChIInChI=1S/C26H29NO5/c1-5-6-12-31-19-9-7-18(8-10-19)22-21-23(28)20-15-16(2)14-17(3)24(20)32-25(21)26(29)27(22)11-13-30-4/h7-10,14-15,22H,5-6,11-13H2,1-4H3
InChIKeySQQGIUNUQVLAPE-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.78
Rot. Bonds8

About 1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18880614) has the molecular formula C26H29NO5 and a molecular weight of 435.52 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18880614
Molecular FormulaC26H29NO5
Molecular Weight435.52 g/mol
Exact Mass435.20
IUPAC Name1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCOc1ccc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCOC)cc1
InChIInChI=1S/C26H29NO5/c1-5-6-12-31-19-9-7-18(8-10-19)22-21-23(28)20-15-16(2)14-17(3)24(20)32-25(21)26(29)27(22)11-13-30-4/h7-10,14-15,22H,5-6,11-13H2,1-4H3
InChIKeySQQGIUNUQVLAPE-UHFFFAOYSA-N
XLogP4.78
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

2-butyl-5,7-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880766
2-(2-methoxyethyl)-1-(4-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880621
1-(4-hexoxyphenyl)-2-(2-hydroxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880555
1-(4-butoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890875
2-(2-methoxyethyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880642
2-butyl-1-(4-chlorophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880742
2-(3-methoxypropyl)-5,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880689
2-(3-hydroxypropyl)-5,7-dimethyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880584
2-(3-methoxypropyl)-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108749
2-[2-(4-methoxyphenyl)ethyl]-5,7-dimethyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18881194
2-(3-methoxypropyl)-6,8-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890858
2-(2-hydroxyethyl)-5,7-dimethyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880539

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18880614) is 1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCOc1ccc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCOC)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is SQQGIUNUQVLAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO5/c1-5-6-12-31-19-9-7-18(8-10-19)22-21-23(28)20-15-16(2)14-17(3)24(20)32-25(21)26(29)27(22)11-13-30-4/h7-10,14-15,22H,5-6,11-13H2,1-4H3.
What are the key properties of 1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 435.52 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18880614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).