1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione

C24H29N3O3 — CID 110571769

IUPAC1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCCN(CC)c1ccc(N2C(=O)C(c3ccc(C)cc3)=C(N(C)CCO)C2=O)cc1
InChIInChI=1S/C24H29N3O3/c1-5-26(6-2)19-11-13-20(14-12-19)27-23(29)21(18-9-7-17(3)8-10-18)22(24(27)30)25(4)15-16-28/h7-14,28H,5-6,15-16H2,1-4H3
InChIKeyDFHVPNHAUIFXGR-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.05
Rot. Bonds8

About 1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione

1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110571769) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110571769
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCCN(CC)c1ccc(N2C(=O)C(c3ccc(C)cc3)=C(N(C)CCO)C2=O)cc1
InChIInChI=1S/C24H29N3O3/c1-5-26(6-2)19-11-13-20(14-12-19)27-23(29)21(18-9-7-17(3)8-10-18)22(24(27)30)25(4)15-16-28/h7-14,28H,5-6,15-16H2,1-4H3
InChIKeyDFHVPNHAUIFXGR-UHFFFAOYSA-N
XLogP3.05
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.05
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-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110574540
1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552260
1-(3-chloro-4-methylphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574379
1-[4-(dimethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110555753
1-(3-bromophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573314
N-[4-[1-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563474
N-[4-[3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110570965
3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110549722
3-[2-hydroxyethyl(methyl)amino]-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110562060
3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110570769
3-[benzyl(methyl)amino]-1-[4-(diethylamino)phenyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543104
1-[4-(diethylamino)phenyl]-3-(4-methylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110571763

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110571769) is 1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione is CCN(CC)c1ccc(N2C(=O)C(c3ccc(C)cc3)=C(N(C)CCO)C2=O)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is DFHVPNHAUIFXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-5-26(6-2)19-11-13-20(14-12-19)27-23(29)21(18-9-7-17(3)8-10-18)22(24(27)30)25(4)15-16-28/h7-14,28H,5-6,15-16H2,1-4H3.
What are the key properties of 1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione?
1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 407.51 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110571769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).