3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

C16H22N2O3 — CID 71669987

IUPAC3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(NC(C)CC)C2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-4-11(3)17-14-10-15(19)18(16(14)20)12-6-8-13(9-7-12)21-5-2/h6-9,11,14,17H,4-5,10H2,1-3H3
InChIKeyUMBLRMGMMBDYFQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.11
Rot. Bonds6

About 3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 71669987) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
PubChem CID71669987
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(NC(C)CC)C2=O)cc1
InChIInChI=1S/C16H22N2O3/c1-4-11(3)17-14-10-15(19)18(16(14)20)12-6-8-13(9-7-12)21-5-2/h6-9,11,14,17H,4-5,10H2,1-3H3
InChIKeyUMBLRMGMMBDYFQ-UHFFFAOYSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 2872639
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7198359
(3R)-1-(4-ethoxyphenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 774582
1-(4-ethoxyphenyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865903
(3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione
CID 7448639
(3R)-1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylamino)pyrrolidine-2,5-dione
CID 843089
(3S)-1-[4-(difluoromethylsulfanyl)phenyl]-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2242272
1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 43844693
3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 596451
(3S)-1-(4-ethoxyphenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione
CID 7340732
(3S)-3-(2,3-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 51860190

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (CID 71669987) is 3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)CC(NC(C)CC)C2=O)cc1.
What is the InChIKey of 3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is UMBLRMGMMBDYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-11(3)17-14-10-15(19)18(16(14)20)12-6-8-13(9-7-12)21-5-2/h6-9,11,14,17H,4-5,10H2,1-3H3.
What are the key properties of 3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 71669987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).