(3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione

C18H18N2O4 — CID 930931

IUPAC(3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)C[C@H](N(O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H18N2O4/c1-2-24-15-10-8-13(9-11-15)19-17(21)12-16(18(19)22)20(23)14-6-4-3-5-7-14/h3-11,16,23H,2,12H2,1H3/t16-/m0/s1
InChIKeyGOFABEGNOJDTOE-INIZCTEOSA-N
MW326.35 g/mol
LogP2.61
Rot. Bonds5

About (3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione

(3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione (PubChem CID 930931) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is (3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
PubChem CID930931
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name(3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)C[C@H](N(O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H18N2O4/c1-2-24-15-10-8-13(9-11-15)19-17(21)12-16(18(19)22)20(23)14-6-4-3-5-7-14/h3-11,16,23H,2,12H2,1H3/t16-/m0/s1
InChIKeyGOFABEGNOJDTOE-INIZCTEOSA-N
XLogP2.61
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione
CID 662103
(3R)-1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 732451
(3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 931022
N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23887067
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
CID 23915169
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide
CID 23743830
N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23942969
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7198359
N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23743864
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 3121023
N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 23832221
1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865903

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione (CID 930931) is (3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)C[C@H](N(O)c3ccccc3)C2=O)cc1.
What is the InChIKey of (3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The InChIKey is GOFABEGNOJDTOE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-2-24-15-10-8-13(9-11-15)19-17(21)12-16(18(19)22)20(23)14-6-4-3-5-7-14/h3-11,16,23H,2,12H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
(3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione has a molecular weight of 326.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 930931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).