1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

C19H24N2O4 — CID 110572721

IUPAC1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCOCCCN1C(=O)C(c2ccc(C)cc2)=C(N2CCOCC2)C1=O
InChIInChI=1S/C19H24N2O4/c1-14-4-6-15(7-5-14)16-17(20-9-12-25-13-10-20)19(23)21(18(16)22)8-3-11-24-2/h4-7H,3,8-13H2,1-2H3
InChIKeyLJWZTSZTXCCSHF-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.44
Rot. Bonds6

About 1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione

1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (PubChem CID 110572721) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
PubChem CID110572721
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
SMILESCOCCCN1C(=O)C(c2ccc(C)cc2)=C(N2CCOCC2)C1=O
InChIInChI=1S/C19H24N2O4/c1-14-4-6-15(7-5-14)16-17(20-9-12-25-13-10-20)19(23)21(18(16)22)8-3-11-24-2/h4-7H,3,8-13H2,1-2H3
InChIKeyLJWZTSZTXCCSHF-UHFFFAOYSA-N
XLogP1.44
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110559521
3-(4-methoxyphenyl)-4-morpholin-4-yl-1-octylpyrrole-2,5-dione
CID 110556960
3-(4-ethoxyphenyl)-1-(3-methoxypropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110546843
1-(2-methoxyethyl)-3-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110572522
3-(3,4-dimethylphenyl)-4-morpholin-4-yl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110549184
3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110573107
3-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110549142
3-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110569881
1-(3-methoxypropyl)-3-(4-methylpiperidin-1-yl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576912
3-(4-ethoxyphenyl)-1-(3-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110547159
3-(4-ethoxyphenyl)-1-ethyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110546616
1-hexyl-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110572931

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The IUPAC name of 1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione (CID 110572721) is 1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is COCCCN1C(=O)C(c2ccc(C)cc2)=C(N2CCOCC2)C1=O.
What is the InChIKey of 1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
The InChIKey is LJWZTSZTXCCSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-14-4-6-15(7-5-14)16-17(20-9-12-25-13-10-20)19(23)21(18(16)22)8-3-11-24-2/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione?
1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione has a molecular weight of 344.41 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 110572721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).