1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione

C16H22N2O3 — CID 43437363

IUPAC1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(c2ccc(OCCN)cc2)C1=O
InChIInChI=1S/C16H22N2O3/c1-3-16(4-2)11-14(19)18(15(16)20)12-5-7-13(8-6-12)21-10-9-17/h5-8H,3-4,9-11,17H2,1-2H3
InChIKeyXAZIUQPSOOESPE-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.09
Rot. Bonds6

About 1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione

1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione (PubChem CID 43437363) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione
PubChem CID43437363
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(c2ccc(OCCN)cc2)C1=O
InChIInChI=1S/C16H22N2O3/c1-3-16(4-2)11-14(19)18(15(16)20)12-5-7-13(8-6-12)21-10-9-17/h5-8H,3-4,9-11,17H2,1-2H3
InChIKeyXAZIUQPSOOESPE-UHFFFAOYSA-N
XLogP2.09
TPSA72.63 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 ≤ 52.09
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

4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
1-(4-Methoxyphenyl)-2,5-pyrrolidinedione
CID 345843
1-[4-[2-(Benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2957197
1-(4-Ethoxyphenyl)-3-[(tetrahydro-2-furanylmethyl)amino]-2,5-pyrrolidinedione
CID 3139874
1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 3153845
N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3153910
4-[(2,6-Dimethylmorpholin-4-yl)carbonyl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 6457883
1-(4-Methoxyphenyl)-4-(morpholin-4-ylcarbonyl)pyrrolidin-2-one
CID 6458630
5-Oxo-1-(4-propoxy-phenyl)-pyrrolidine-3-carboxylic acid isopropylamide
CID 651536
CID 2872840
CID 2872840
1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2920624
Ethyl 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetate
CID 2850011

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione (CID 43437363) is 1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(c2ccc(OCCN)cc2)C1=O.
What is the InChIKey of 1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione?
The InChIKey is XAZIUQPSOOESPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-16(4-2)11-14(19)18(15(16)20)12-5-7-13(8-6-12)21-10-9-17/h5-8H,3-4,9-11,17H2,1-2H3.
What are the key properties of 1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione?
1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione has a molecular weight of 290.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione is sourced from PubChem (CID 43437363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).