2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H37NO5 — CID 19109058

IUPAC2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCOc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCC)cc1OCC
InChIInChI=1S/C30H37NO5/c1-6-9-11-15-35-22-13-12-21(18-23(22)34-8-3)27-26-28(32)25-20(5)16-19(4)17-24(25)36-29(26)30(33)31(27)14-10-7-2/h12-13,16-18,27H,6-11,14-15H2,1-5H3
InChIKeyMEOILKAGEHLTFK-UHFFFAOYSA-N
MW491.63 g/mol
LogP6.72
Rot. Bonds11

About 2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19109058) has the molecular formula C30H37NO5 and a molecular weight of 491.63 g/mol. Its IUPAC name is 2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19109058
Molecular FormulaC30H37NO5
Molecular Weight491.63 g/mol
Exact Mass491.27
IUPAC Name2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCOc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCC)cc1OCC
InChIInChI=1S/C30H37NO5/c1-6-9-11-15-35-22-13-12-21(18-23(22)34-8-3)27-26-28(32)25-20(5)16-19(4)17-24(25)36-29(26)30(33)31(27)14-10-7-2/h12-13,16-18,27H,6-11,14-15H2,1-5H3
InChIKeyMEOILKAGEHLTFK-UHFFFAOYSA-N
XLogP6.72
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.63
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-diethoxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108964
1-(3-ethoxy-4-propoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108997
1-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890726
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890705
2-butyl-6,8-dimethyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108932
1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109018
(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40638904
2-(3-hydroxypropyl)-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108747
2-(3-methoxypropyl)-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108749
1-(3,4-dimethoxyphenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890764
1-(4-ethoxy-3-methoxyphenyl)-6,8-dimethyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890732
1-(4-butoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890875

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19109058) is 2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCCOc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCC)cc1OCC.
What is the InChIKey of 2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MEOILKAGEHLTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO5/c1-6-9-11-15-35-22-13-12-21(18-23(22)34-8-3)27-26-28(32)25-20(5)16-19(4)17-24(25)36-29(26)30(33)31(27)14-10-7-2/h12-13,16-18,27H,6-11,14-15H2,1-5H3.
What are the key properties of 2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 491.63 g/mol, XLogP of 6.72, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19109058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).