3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-propylpyrrole-2,5-dione

C23H26N2O2 — CID 110548870

IUPAC3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N(CC)c2ccccc2)C1=O
InChIInChI=1S/C23H26N2O2/c1-5-14-25-22(26)20(18-13-12-16(3)17(4)15-18)21(23(25)27)24(6-2)19-10-8-7-9-11-19/h7-13,15H,5-6,14H2,1-4H3
InChIKeyPCVJEICLCCRLNY-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.32
Rot. Bonds6

About 3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-propylpyrrole-2,5-dione

3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-propylpyrrole-2,5-dione (PubChem CID 110548870) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-propylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-propylpyrrole-2,5-dione
PubChem CID110548870
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N(CC)c2ccccc2)C1=O
InChIInChI=1S/C23H26N2O2/c1-5-14-25-22(26)20(18-13-12-16(3)17(4)15-18)21(23(25)27)24(6-2)19-10-8-7-9-11-19/h7-13,15H,5-6,14H2,1-4H3
InChIKeyPCVJEICLCCRLNY-UHFFFAOYSA-N
XLogP4.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-hexylpyrrole-2,5-dione
CID 110549357
3-(3,4-dimethylphenyl)-1-ethyl-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110548909
1-(3-butoxypropyl)-3-(3,4-dimethylphenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110549443
3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione
CID 110549530
3-(3,4-dimethylphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione
CID 110548794
3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-hexylpyrrole-2,5-dione
CID 110564488
3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110550412
3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110565855
3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110563850
1-(4-chloro-2-methylphenyl)-3-(3,4-dimethylphenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110550609
3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572740
N-[4-[3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110550353

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-propylpyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-propylpyrrole-2,5-dione (CID 110548870) is 3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-propylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-propylpyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-propylpyrrole-2,5-dione is CCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N(CC)c2ccccc2)C1=O.
What is the InChIKey of 3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-propylpyrrole-2,5-dione?
The InChIKey is PCVJEICLCCRLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-5-14-25-22(26)20(18-13-12-16(3)17(4)15-18)21(23(25)27)24(6-2)19-10-8-7-9-11-19/h7-13,15H,5-6,14H2,1-4H3.
What are the key properties of 3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-propylpyrrole-2,5-dione?
3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-propylpyrrole-2,5-dione has a molecular weight of 362.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-propylpyrrole-2,5-dione is sourced from PubChem (CID 110548870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).