1-[4-(4-ethoxyanilino)-3-nitrophenyl]pyrrolidine-2,5-dione

C18H17N3O5 — CID 15995984

IUPAC1-[4-(4-ethoxyanilino)-3-nitrophenyl]pyrrolidine-2,5-dione
SMILESCCOc1ccc(Nc2ccc(N3C(=O)CCC3=O)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H17N3O5/c1-2-26-14-6-3-12(4-7-14)19-15-8-5-13(11-16(15)21(24)25)20-17(22)9-10-18(20)23/h3-8,11,19H,2,9-10H2,1H3
InChIKeyZUWVOGFZBXYLEP-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.39
Rot. Bonds6

About 1-[4-(4-ethoxyanilino)-3-nitrophenyl]pyrrolidine-2,5-dione

1-[4-(4-ethoxyanilino)-3-nitrophenyl]pyrrolidine-2,5-dione (PubChem CID 15995984) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 1-[4-(4-ethoxyanilino)-3-nitrophenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(4-ethoxyanilino)-3-nitrophenyl]pyrrolidine-2,5-dione
PubChem CID15995984
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name1-[4-(4-ethoxyanilino)-3-nitrophenyl]pyrrolidine-2,5-dione
SMILESCCOc1ccc(Nc2ccc(N3C(=O)CCC3=O)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H17N3O5/c1-2-26-14-6-3-12(4-7-14)19-15-8-5-13(11-16(15)21(24)25)20-17(22)9-10-18(20)23/h3-8,11,19H,2,9-10H2,1H3
InChIKeyZUWVOGFZBXYLEP-UHFFFAOYSA-N
XLogP3.39
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2,4-Dinitro-4'-methoxydiphenylamine
CID 260958
3-[(4-Methoxyphenyl)amino]-1-(3-nitrophenyl)pyrrolidine-2,5-dione
CID 2972083
3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-propoxyphenyl)-2,5-pyrrolidinedione
CID 2853519
1-{4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrophenyl}pyrrolidine-2,5-dione
CID 15995982
4-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 1568952
N-(3-nitrophenyl)-4-phenoxybutanamide
CID 1570044
N-(4-Methoxyphenyl)picrylamine
CID 4257825
1-(4-{[2-(4-Methoxyphenyl)ethyl]amino}-3-nitrophenyl)-3-methylpyrrolidine-2,5-dione
CID 16189321
2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 888916
N-(2-methoxy-5-nitrophenyl)-4-phenoxybutanamide
CID 2289671
1-(4-Ethoxy-phenyl)-3-[4-(4-nitro-phenyl)-piperazin-1-yl]-pyrrolidine-2,5-dione
CID 2833561
CID 4276656
CID 4276656

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxyanilino)-3-nitrophenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(4-ethoxyanilino)-3-nitrophenyl]pyrrolidine-2,5-dione (CID 15995984) is 1-[4-(4-ethoxyanilino)-3-nitrophenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(4-ethoxyanilino)-3-nitrophenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(4-ethoxyanilino)-3-nitrophenyl]pyrrolidine-2,5-dione is CCOc1ccc(Nc2ccc(N3C(=O)CCC3=O)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 1-[4-(4-ethoxyanilino)-3-nitrophenyl]pyrrolidine-2,5-dione?
The InChIKey is ZUWVOGFZBXYLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-2-26-14-6-3-12(4-7-14)19-15-8-5-13(11-16(15)21(24)25)20-17(22)9-10-18(20)23/h3-8,11,19H,2,9-10H2,1H3.
What are the key properties of 1-[4-(4-ethoxyanilino)-3-nitrophenyl]pyrrolidine-2,5-dione?
1-[4-(4-ethoxyanilino)-3-nitrophenyl]pyrrolidine-2,5-dione has a molecular weight of 355.35 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxyanilino)-3-nitrophenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 15995984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).