1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione

C19H18N2O5 — CID 168556374

IUPAC1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione
SMILESCOc1cccc(Oc2ccc(NC3=CC(=O)N(CCO)C3=O)cc2)c1
InChIInChI=1S/C19H18N2O5/c1-25-15-3-2-4-16(11-15)26-14-7-5-13(6-8-14)20-17-12-18(23)21(9-10-22)19(17)24/h2-8,11-12,20,22H,9-10H2,1H3
InChIKeySCJOCYYCNKHQAV-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.14
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione

1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione (PubChem CID 168556374) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione
PubChem CID168556374
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione
SMILESCOc1cccc(Oc2ccc(NC3=CC(=O)N(CCO)C3=O)cc2)c1
InChIInChI=1S/C19H18N2O5/c1-25-15-3-2-4-16(11-15)26-14-7-5-13(6-8-14)20-17-12-18(23)21(9-10-22)19(17)24/h2-8,11-12,20,22H,9-10H2,1H3
InChIKeySCJOCYYCNKHQAV-UHFFFAOYSA-N
XLogP2.14
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione (CID 168556374) is 1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione is COc1cccc(Oc2ccc(NC3=CC(=O)N(CCO)C3=O)cc2)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione?
The InChIKey is SCJOCYYCNKHQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-25-15-3-2-4-16(11-15)26-14-7-5-13(6-8-14)20-17-12-18(23)21(9-10-22)19(17)24/h2-8,11-12,20,22H,9-10H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione has a molecular weight of 354.36 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 168556374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).