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

C21H23N3O2 — CID 110594541

IUPAC3-[4-(diethylamino)anilino]-1-methyl-4-phenylpyrrole-2,5-dione
SMILESCCN(CC)c1ccc(NC2=C(c3ccccc3)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C21H23N3O2/c1-4-24(5-2)17-13-11-16(12-14-17)22-19-18(15-9-7-6-8-10-15)20(25)23(3)21(19)26/h6-14,22H,4-5H2,1-3H3
InChIKeyRTNGKEWGCQGMFD-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.35
Rot. Bonds6

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

3-[4-(diethylamino)anilino]-1-methyl-4-phenylpyrrole-2,5-dione (PubChem CID 110594541) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[4-(diethylamino)anilino]-1-methyl-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-(diethylamino)anilino]-1-methyl-4-phenylpyrrole-2,5-dione
PubChem CID110594541
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-[4-(diethylamino)anilino]-1-methyl-4-phenylpyrrole-2,5-dione
SMILESCCN(CC)c1ccc(NC2=C(c3ccccc3)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C21H23N3O2/c1-4-24(5-2)17-13-11-16(12-14-17)22-19-18(15-9-7-6-8-10-15)20(25)23(3)21(19)26/h6-14,22H,4-5H2,1-3H3
InChIKeyRTNGKEWGCQGMFD-UHFFFAOYSA-N
XLogP3.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.35
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-phenyl-1-propan-2-ylpyrrole-2,5-dione
CID 110594969
3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110594584
3-[4-(diethylamino)anilino]-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
CID 110594804
3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-methylpyrrole-2,5-dione
CID 110597644
3-[4-(diethylamino)anilino]-4-(4-fluorophenyl)-1-phenylpyrrole-2,5-dione
CID 110587025
1-(2-chlorophenyl)-3-[4-(diethylamino)anilino]-4-phenylpyrrole-2,5-dione
CID 110596218
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-(diethylamino)anilino]-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110600562
3-[4-(diethylamino)anilino]-4-(4-methoxyphenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110593192
3-[4-(diethylamino)anilino]-4-(4-methoxyphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110592920
3-[4-(diethylamino)anilino]-1-(2-methoxyethyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110590103

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)anilino]-1-methyl-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-[4-(diethylamino)anilino]-1-methyl-4-phenylpyrrole-2,5-dione (CID 110594541) is 3-[4-(diethylamino)anilino]-1-methyl-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-[4-(diethylamino)anilino]-1-methyl-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-[4-(diethylamino)anilino]-1-methyl-4-phenylpyrrole-2,5-dione is CCN(CC)c1ccc(NC2=C(c3ccccc3)C(=O)N(C)C2=O)cc1.
What is the InChIKey of 3-[4-(diethylamino)anilino]-1-methyl-4-phenylpyrrole-2,5-dione?
The InChIKey is RTNGKEWGCQGMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-24(5-2)17-13-11-16(12-14-17)22-19-18(15-9-7-6-8-10-15)20(25)23(3)21(19)26/h6-14,22H,4-5H2,1-3H3.
What are the key properties of 3-[4-(diethylamino)anilino]-1-methyl-4-phenylpyrrole-2,5-dione?
3-[4-(diethylamino)anilino]-1-methyl-4-phenylpyrrole-2,5-dione has a molecular weight of 349.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)anilino]-1-methyl-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110594541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).