3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione

C24H28N2O4 — CID 110564113

IUPAC3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(c2ccc(OC)c(OC)c2)=C(N(CC)Cc2ccccc2)C1=O
InChIInChI=1S/C24H28N2O4/c1-5-14-26-23(27)21(18-12-13-19(29-3)20(15-18)30-4)22(24(26)28)25(6-2)16-17-10-8-7-9-11-17/h7-13,15H,5-6,14,16H2,1-4H3
InChIKeyZVQVJDATEVJCDS-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.72
Rot. Bonds9

About 3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione

3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione (PubChem CID 110564113) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione
PubChem CID110564113
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(c2ccc(OC)c(OC)c2)=C(N(CC)Cc2ccccc2)C1=O
InChIInChI=1S/C24H28N2O4/c1-5-14-26-23(27)21(18-12-13-19(29-3)20(15-18)30-4)22(24(26)28)25(6-2)16-17-10-8-7-9-11-17/h7-13,15H,5-6,14,16H2,1-4H3
InChIKeyZVQVJDATEVJCDS-UHFFFAOYSA-N
XLogP3.72
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565810
3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110563850
3-[benzyl(ethyl)amino]-1-(3,4-dimethoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110561484
3-[benzyl(ethyl)amino]-4-[4-(2-methylpropoxy)phenyl]-1-propylpyrrole-2,5-dione
CID 110551216
3-[benzyl(methyl)amino]-4-(3,4-dimethoxyphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110564254
3-[benzyl(ethyl)amino]-1-[2-(4-methoxyphenyl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110558856
3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-hexylpyrrole-2,5-dione
CID 110564488
3-[benzyl(methyl)amino]-4-(3,4-dimethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110564516
3-[benzyl(ethyl)amino]-1-ethyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572443
3-[benzyl(ethyl)amino]-4-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110550529
3-[benzyl(ethyl)amino]-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110558909
3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
CID 110543180

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione?
The IUPAC name of 3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione (CID 110564113) is 3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione?
The canonical SMILES for 3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione is CCCN1C(=O)C(c2ccc(OC)c(OC)c2)=C(N(CC)Cc2ccccc2)C1=O.
What is the InChIKey of 3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione?
The InChIKey is ZVQVJDATEVJCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-5-14-26-23(27)21(18-12-13-19(29-3)20(15-18)30-4)22(24(26)28)25(6-2)16-17-10-8-7-9-11-17/h7-13,15H,5-6,14,16H2,1-4H3.
What are the key properties of 3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione?
3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione has a molecular weight of 408.50 g/mol, XLogP of 3.72, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione is sourced from PubChem (CID 110564113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).