1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione

C24H27N3O3 — CID 110561986

IUPAC1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
SMILESCC1CN(C2=C(c3ccccc3)C(=O)N(c3cccc(N(C)C)c3)C2=O)CC(C)O1
InChIInChI=1S/C24H27N3O3/c1-16-14-26(15-17(2)30-16)22-21(18-9-6-5-7-10-18)23(28)27(24(22)29)20-12-8-11-19(13-20)25(3)4/h5-13,16-17H,14-15H2,1-4H3
InChIKeyPEFAWRKTVUHXBK-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.15
Rot. Bonds4

About 1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione

1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione (PubChem CID 110561986) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
PubChem CID110561986
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
SMILESCC1CN(C2=C(c3ccccc3)C(=O)N(c3cccc(N(C)C)c3)C2=O)CC(C)O1
InChIInChI=1S/C24H27N3O3/c1-16-14-26(15-17(2)30-16)22-21(18-9-6-5-7-10-18)23(28)27(24(22)29)20-12-8-11-19(13-20)25(3)4/h5-13,16-17H,14-15H2,1-4H3
InChIKeyPEFAWRKTVUHXBK-UHFFFAOYSA-N
XLogP3.15
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110560400
1-(3,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561479
3-(2,6-dimethylmorpholin-4-yl)-4-phenyl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110562053
1-[3-(dimethylamino)phenyl]-3-(4-methylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110574629
3-(2,6-dimethylmorpholin-4-yl)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
CID 110561409
3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione
CID 110559456
1-[3-(dimethylamino)phenyl]-3-[3-(hydroxymethyl)piperidin-1-yl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574646
1-(3-chloro-2-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110560513
3-(2,6-dimethylmorpholin-4-yl)-4-(4-ethoxyphenyl)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110547241
3-(2,6-dimethylmorpholin-4-yl)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544643
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110558141
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110558135

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione (CID 110561986) is 1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione is CC1CN(C2=C(c3ccccc3)C(=O)N(c3cccc(N(C)C)c3)C2=O)CC(C)O1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
The InChIKey is PEFAWRKTVUHXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-14-26(15-17(2)30-16)22-21(18-9-6-5-7-10-18)23(28)27(24(22)29)20-12-8-11-19(13-20)25(3)4/h5-13,16-17H,14-15H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione?
1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione has a molecular weight of 405.50 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110561986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).