1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

C25H29N3O4 — CID 110574879

IUPAC1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCC(C)Oc1ccc(C2=C(N3CCOCC3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1
InChIInChI=1S/C25H29N3O4/c1-17(2)32-21-11-5-18(6-12-21)22-23(27-13-15-31-16-14-27)25(30)28(24(22)29)20-9-7-19(8-10-20)26(3)4/h5-12,17H,13-16H2,1-4H3
InChIKeyNTEFQPWQHOCHLP-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.16
Rot. Bonds6

About 1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (PubChem CID 110574879) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
PubChem CID110574879
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCC(C)Oc1ccc(C2=C(N3CCOCC3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1
InChIInChI=1S/C25H29N3O4/c1-17(2)32-21-11-5-18(6-12-21)22-23(27-13-15-31-16-14-27)25(30)28(24(22)29)20-9-7-19(8-10-20)26(3)4/h5-12,17H,13-16H2,1-4H3
InChIKeyNTEFQPWQHOCHLP-UHFFFAOYSA-N
XLogP3.16
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-morpholin-4-yl-4-(4-nitrophenyl)-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110542475
1-methyl-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575237
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110558141
3-(4-ethoxyphenyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110547822
3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575861
3-(4-methylpiperidin-1-yl)-1-phenyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575970
3-(4-methylphenyl)-4-morpholin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110571547
1-[4-(dimethylamino)phenyl]-3-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110543119
3-(4-ethylpiperazin-1-yl)-4-phenyl-1-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110561352
1-[4-(dimethylamino)phenyl]-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110543115
3-(2,6-dimethylmorpholin-4-yl)-1-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575860
3-(4-chlorophenyl)-1-[4-(dimethylamino)phenyl]-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110569121

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (CID 110574879) is 1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is CC(C)Oc1ccc(C2=C(N3CCOCC3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The InChIKey is NTEFQPWQHOCHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-17(2)32-21-11-5-18(6-12-21)22-23(27-13-15-31-16-14-27)25(30)28(24(22)29)20-9-7-19(8-10-20)26(3)4/h5-12,17H,13-16H2,1-4H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione has a molecular weight of 435.52 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110574879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).