3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione

C23H27N3O3 — CID 110594584

IUPAC3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
SMILESCCN(CC)c1ccc(NC2=C(c3ccccc3)C(=O)N(CCOC)C2=O)cc1
InChIInChI=1S/C23H27N3O3/c1-4-25(5-2)19-13-11-18(12-14-19)24-21-20(17-9-7-6-8-10-17)22(27)26(23(21)28)15-16-29-3/h6-14,24H,4-5,15-16H2,1-3H3
InChIKeyRPNZGBABLHXWNZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.37
Rot. Bonds9

About 3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione

3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110594584) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
PubChem CID110594584
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
SMILESCCN(CC)c1ccc(NC2=C(c3ccccc3)C(=O)N(CCOC)C2=O)cc1
InChIInChI=1S/C23H27N3O3/c1-4-25(5-2)19-13-11-18(12-14-19)24-21-20(17-9-7-6-8-10-17)22(27)26(23(21)28)15-16-29-3/h6-14,24H,4-5,15-16H2,1-3H3
InChIKeyRPNZGBABLHXWNZ-UHFFFAOYSA-N
XLogP3.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110590103
3-[4-(diethylamino)anilino]-1-methyl-4-phenylpyrrole-2,5-dione
CID 110594541
3-[4-(diethylamino)anilino]-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
CID 110594804
3-[4-(diethylamino)anilino]-4-(4-methoxyphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110592920
1-(2-methoxyethyl)-3-phenyl-4-(4-pyrrolidin-1-ylanilino)pyrrole-2,5-dione
CID 110594583
3-[4-(diethylamino)anilino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110585967
3-[4-(dimethylamino)anilino]-4-phenyl-1-propylpyrrole-2,5-dione
CID 110594486
3-[4-(dimethylamino)anilino]-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 110586303
3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione
CID 110594969
3-(3-fluoroanilino)-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110594588
3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110597586
3-(5-chloro-2-methylanilino)-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110594593

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione (CID 110594584) is 3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione is CCN(CC)c1ccc(NC2=C(c3ccccc3)C(=O)N(CCOC)C2=O)cc1.
What is the InChIKey of 3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is RPNZGBABLHXWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-25(5-2)19-13-11-18(12-14-19)24-21-20(17-9-7-6-8-10-17)22(27)26(23(21)28)15-16-29-3/h6-14,24H,4-5,15-16H2,1-3H3.
What are the key properties of 3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione?
3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 393.49 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110594584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).