3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione

C24H26N2O3 — CID 110575592

IUPAC3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccc(OC(C)C)cc2)=C(N(CC)c2ccccc2)C1=O
InChIInChI=1S/C24H26N2O3/c1-5-16-26-23(27)21(18-12-14-20(15-13-18)29-17(3)4)22(24(26)28)25(6-2)19-10-8-7-9-11-19/h5,7-15,17H,1,6,16H2,2-4H3
InChIKeyKNZOURCCMJGMAO-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.27
Rot. Bonds8

About 3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione

3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione (PubChem CID 110575592) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
PubChem CID110575592
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccc(OC(C)C)cc2)=C(N(CC)c2ccccc2)C1=O
InChIInChI=1S/C24H26N2O3/c1-5-16-26-23(27)21(18-12-14-20(15-13-18)29-17(3)4)22(24(26)28)25(6-2)19-10-8-7-9-11-19/h5,7-15,17H,1,6,16H2,2-4H3
InChIKeyKNZOURCCMJGMAO-UHFFFAOYSA-N
XLogP4.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110556828
3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
CID 110560065
3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574909
3-(N-methylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione
CID 110551560
3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110576102
3-(N-methylanilino)-1-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575529
1-(3-butoxypropyl)-3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575615
3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110569924
3-(N-ethylanilino)-1-(3-methoxypropyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551433
3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110575054
1-(3-butoxypropyl)-3-(N-ethylanilino)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541819
3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572740

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
The IUPAC name of 3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione (CID 110575592) is 3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione.
What is the SMILES notation for 3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
The canonical SMILES for 3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione is C=CCN1C(=O)C(c2ccc(OC(C)C)cc2)=C(N(CC)c2ccccc2)C1=O.
What is the InChIKey of 3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
The InChIKey is KNZOURCCMJGMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-5-16-26-23(27)21(18-12-14-20(15-13-18)29-17(3)4)22(24(26)28)25(6-2)19-10-8-7-9-11-19/h5,7-15,17H,1,6,16H2,2-4H3.
What are the key properties of 3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione?
3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione has a molecular weight of 390.48 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione is sourced from PubChem (CID 110575592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).