N-ethyl-2-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]phenoxy]acetamide

C16H21N3O4 — CID 47062044

IUPACN-ethyl-2-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]phenoxy]acetamide
SMILESCCNC(=O)COc1cccc(NC2CC(=O)N(CC)C2=O)c1
InChIInChI=1S/C16H21N3O4/c1-3-17-14(20)10-23-12-7-5-6-11(8-12)18-13-9-15(21)19(4-2)16(13)22/h5-8,13,18H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKeyHMXRVONRSXNMLV-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.76
Rot. Bonds7

About N-ethyl-2-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]phenoxy]acetamide

N-ethyl-2-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]phenoxy]acetamide (PubChem CID 47062044) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-ethyl-2-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]phenoxy]acetamide
PubChem CID47062044
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-ethyl-2-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]phenoxy]acetamide
SMILESCCNC(=O)COc1cccc(NC2CC(=O)N(CC)C2=O)c1
InChIInChI=1S/C16H21N3O4/c1-3-17-14(20)10-23-12-7-5-6-11(8-12)18-13-9-15(21)19(4-2)16(13)22/h5-8,13,18H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKeyHMXRVONRSXNMLV-UHFFFAOYSA-N
XLogP0.76
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[3-(2-methoxyethoxy)anilino]pyrrolidine-2,5-dione
CID 60933482
N-ethyl-2-[3-(methylamino)phenoxy]acetamide
CID 143296990
3-[3-(dimethylamino)anilino]-1-ethylpyrrolidine-2,5-dione
CID 115377431
1-ethyl-3-[4-(2-methoxyethoxy)anilino]pyrrolidine-2,5-dione
CID 47030349
(3S)-3-(3,4-dimethylanilino)-1-ethylpyrrolidine-2,5-dione
CID 894359
(3S)-1-ethyl-3-[3-(pyrazol-1-ylmethyl)anilino]pyrrolidine-2,5-dione
CID 98419532
2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide
CID 71912046
N-ethyl-2-(3-iodophenoxy)acetamide
CID 35964603
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 43636158
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 136576931
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]phenoxy]acetamide (CID 47062044) is N-ethyl-2-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]phenoxy]acetamide is CCNC(=O)COc1cccc(NC2CC(=O)N(CC)C2=O)c1.
What is the InChIKey of N-ethyl-2-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]phenoxy]acetamide?
The InChIKey is HMXRVONRSXNMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-3-17-14(20)10-23-12-7-5-6-11(8-12)18-13-9-15(21)19(4-2)16(13)22/h5-8,13,18H,3-4,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-ethyl-2-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]phenoxy]acetamide?
N-ethyl-2-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]phenoxy]acetamide has a molecular weight of 319.36 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]phenoxy]acetamide is sourced from PubChem (CID 47062044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).