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

C21H24N2O4 — CID 662103

IUPAC3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCCCOc1ccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H24N2O4/c1-2-3-7-14-27-18-12-10-16(11-13-18)22-20(24)15-19(21(22)25)23(26)17-8-5-4-6-9-17/h4-6,8-13,19,26H,2-3,7,14-15H2,1H3
InChIKeyGCIUIOZZUGWXQK-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.78
Rot. Bonds8

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

3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 662103) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione
PubChem CID662103
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCCCOc1ccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H24N2O4/c1-2-3-7-14-27-18-12-10-16(11-13-18)22-20(24)15-19(21(22)25)23(26)17-8-5-4-6-9-17/h4-6,8-13,19,26H,2-3,7,14-15H2,1H3
InChIKeyGCIUIOZZUGWXQK-UHFFFAOYSA-N
XLogP3.78
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 930931
3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 3736654
(3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 931022
benzyl-[(3S)-1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-methylazanium
CID 7329798
1-(furan-2-ylmethyl)-1-[(3S)-1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-phenylthiourea
CID 51445722
(E)-4-[[(3R)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)amino]-4-oxobut-2-enoic acid
CID 40785418
(3R)-1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 732451
1-(4-butoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2869051
4-[(3S)-1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carbaldehyde
CID 7107902
1-[1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(4-methoxyphenyl)methyl]-3-methylthiourea
CID 5140651
1-(4-hexoxyphenyl)-3-(4-methoxypiperidin-1-yl)pyrrolidine-2,5-dione
CID 5298896
[(3S)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 2273222

Frequently Asked Questions

What is the IUPAC name of 3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione (CID 662103) is 3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione is CCCCCOc1ccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is GCIUIOZZUGWXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-2-3-7-14-27-18-12-10-16(11-13-18)22-20(24)15-19(21(22)25)23(26)17-8-5-4-6-9-17/h4-6,8-13,19,26H,2-3,7,14-15H2,1H3.
What are the key properties of 3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione?
3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 368.43 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 662103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).