3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione

C23H27N3O2 — CID 110594969

IUPAC3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione
SMILESCCN(CC)c1ccc(NC2=C(c3ccccc3)C(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C23H27N3O2/c1-5-25(6-2)19-14-12-18(13-15-19)24-21-20(17-10-8-7-9-11-17)22(27)26(16(3)4)23(21)28/h7-16,24H,5-6H2,1-4H3
InChIKeyCVDMKIIPLXDKMB-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.13
Rot. Bonds7

About 3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione

3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione (PubChem CID 110594969) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione
PubChem CID110594969
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione
SMILESCCN(CC)c1ccc(NC2=C(c3ccccc3)C(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C23H27N3O2/c1-5-25(6-2)19-14-12-18(13-15-19)24-21-20(17-10-8-7-9-11-17)22(27)26(16(3)4)23(21)28/h7-16,24H,5-6H2,1-4H3
InChIKeyCVDMKIIPLXDKMB-UHFFFAOYSA-N
XLogP4.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-4-(4-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110593192
3-anilino-4-phenyl-1-propan-2-ylpyrrole-2,5-dione
CID 110594986
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
1-(2-chlorophenyl)-3-[4-(diethylamino)anilino]-4-phenylpyrrole-2,5-dione
CID 110596218
3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110594584
3-(3,5-dimethylanilino)-4-phenyl-1-propan-2-ylpyrrole-2,5-dione
CID 110594972
3-[4-(diethylamino)anilino]-4-(4-fluorophenyl)-1-phenylpyrrole-2,5-dione
CID 110587025
3-[4-(dimethylamino)anilino]-4-phenyl-1-propylpyrrole-2,5-dione
CID 110594486
3-anilino-4-(4-nitrophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110585459
3-[4-(diethylamino)anilino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110585967
3-(3,4-dimethoxyphenyl)-4-[4-(dimethylamino)anilino]-1-propan-2-ylpyrrole-2,5-dione
CID 110597139

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione (CID 110594969) is 3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione is CCN(CC)c1ccc(NC2=C(c3ccccc3)C(=O)N(C(C)C)C2=O)cc1.
What is the InChIKey of 3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione?
The InChIKey is CVDMKIIPLXDKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-5-25(6-2)19-14-12-18(13-15-19)24-21-20(17-10-8-7-9-11-17)22(27)26(16(3)4)23(21)28/h7-16,24H,5-6H2,1-4H3.
What are the key properties of 3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione?
3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione has a molecular weight of 377.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)anilino]-4-phenyl-1-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110594969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).