1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C24H25NO5 — CID 19130848

IUPAC1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCOc1ccc(C2NC(=O)c3oc4c(C)cc(C)cc4c(=O)c32)cc1OC
InChIInChI=1S/C24H25NO5/c1-5-6-9-29-17-8-7-15(12-18(17)28-4)20-19-21(26)16-11-13(2)10-14(3)22(16)30-23(19)24(27)25-20/h7-8,10-12,20H,5-6,9H2,1-4H3,(H,25,27)
InChIKeyUIHFRUKYSYWILT-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.43
Rot. Bonds6

About 1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130848) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19130848
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCOc1ccc(C2NC(=O)c3oc4c(C)cc(C)cc4c(=O)c32)cc1OC
InChIInChI=1S/C24H25NO5/c1-5-6-9-29-17-8-7-15(12-18(17)28-4)20-19-21(26)16-11-13(2)10-14(3)22(16)30-23(19)24(27)25-20/h7-8,10-12,20H,5-6,9H2,1-4H3,(H,25,27)
InChIKeyUIHFRUKYSYWILT-UHFFFAOYSA-N
XLogP4.43
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxy-4-prop-2-enoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130873
5,7-dimethyl-1-(3-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130861
1-(4-butoxy-3-methoxyphenyl)-7-chloro-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130488
1-(3-methoxy-4-pentoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130376
7-chloro-1-(4-hexoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130513
1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130889
7-bromo-1-(4-butoxy-3-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130607
1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880814
2-(furan-2-ylmethyl)-1-(4-hexoxy-3-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880936
7-fluoro-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 19130537
1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880816
(1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2033311

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130848) is 1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is CCCCOc1ccc(C2NC(=O)c3oc4c(C)cc(C)cc4c(=O)c32)cc1OC.
What is the InChIKey of 1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is UIHFRUKYSYWILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-5-6-9-29-17-8-7-15(12-18(17)28-4)20-19-21(26)16-11-13(2)10-14(3)22(16)30-23(19)24(27)25-20/h7-8,10-12,20H,5-6,9H2,1-4H3,(H,25,27).
What are the key properties of 1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?
1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 407.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-3-methoxyphenyl)-5,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).