2-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]-N,N-dimethylacetamide

C17H23N3O3 — CID 51086685

IUPAC2-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CCCN1C(=O)c2ccccc2C1=O)CC(=O)N(C)C
InChIInChI=1S/C17H23N3O3/c1-4-19(12-15(21)18(2)3)10-7-11-20-16(22)13-8-5-6-9-14(13)17(20)23/h5-6,8-9H,4,7,10-12H2,1-3H3
InChIKeyLNHWFMWMOZCZSL-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.08
Rot. Bonds7

About 2-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]-N,N-dimethylacetamide

2-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]-N,N-dimethylacetamide (PubChem CID 51086685) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]-N,N-dimethylacetamide
PubChem CID51086685
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CCCN1C(=O)c2ccccc2C1=O)CC(=O)N(C)C
InChIInChI=1S/C17H23N3O3/c1-4-19(12-15(21)18(2)3)10-7-11-20-16(22)13-8-5-6-9-14(13)17(20)23/h5-6,8-9H,4,7,10-12H2,1-3H3
InChIKeyLNHWFMWMOZCZSL-UHFFFAOYSA-N
XLogP1.08
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid
CID 82224048
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
CID 134307088
2-[2-(dioctylamino)ethyl]isoindole-1,3-dione
CID 170273237
12-[bis[12-(1,3-dioxoisoindol-2-yl)dodecyl]amino]dodecyl-trimethylazanium
CID 118517529
2-[3-[bis(trideuteriomethyl)amino]propyl]isoindole-1,3-dione
CID 89296361
N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide
CID 10577175
2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione
CID 18088905
2-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]butyl]isoindole-1,3-dione
CID 18151884
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]-N,N-dimethylacetamide (CID 51086685) is 2-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]-N,N-dimethylacetamide is CCN(CCCN1C(=O)c2ccccc2C1=O)CC(=O)N(C)C.
What is the InChIKey of 2-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]-N,N-dimethylacetamide?
The InChIKey is LNHWFMWMOZCZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-19(12-15(21)18(2)3)10-7-11-20-16(22)13-8-5-6-9-14(13)17(20)23/h5-6,8-9H,4,7,10-12H2,1-3H3.
What are the key properties of 2-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]-N,N-dimethylacetamide?
2-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]-N,N-dimethylacetamide has a molecular weight of 317.39 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-dioxoisoindol-2-yl)propyl-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 51086685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).