3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane

C21H35N3O4 — CID 176968223

IUPAC3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane
SMILESCC.CCCC=O.Cc1cc(OCCN)ccc1N(C)C1CCC(=O)NC1=O
InChIInChI=1S/C15H21N3O3.C4H8O.C2H6/c1-10-9-11(21-8-7-16)3-4-12(10)18(2)13-5-6-14(19)17-15(13)20;1-2-3-4-5;1-2/h3-4,9,13H,5-8,16H2,1-2H3,(H,17,19,20);4H,2-3H2,1H3;1-2H3
InChIKeyKGAKUBNIQSBIBL-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.59
Rot. Bonds7

About 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane

3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane (PubChem CID 176968223) has the molecular formula C21H35N3O4 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane.

Molecular Properties

Compound Name3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane
PubChem CID176968223
Molecular FormulaC21H35N3O4
Molecular Weight393.53 g/mol
Exact Mass393.26
IUPAC Name3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane
SMILESCC.CCCC=O.Cc1cc(OCCN)ccc1N(C)C1CCC(=O)NC1=O
InChIInChI=1S/C15H21N3O3.C4H8O.C2H6/c1-10-9-11(21-8-7-16)3-4-12(10)18(2)13-5-6-14(19)17-15(13)20;1-2-3-4-5;1-2/h3-4,9,13H,5-8,16H2,1-2H3,(H,17,19,20);4H,2-3H2,1H3;1-2H3
InChIKeyKGAKUBNIQSBIBL-UHFFFAOYSA-N
XLogP2.59
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione
CID 176968224
3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 167470469
N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide
CID 156836959
N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane
CID 176968592
5-cyclobutyloxy-2-methylbenzaldehyde;N-(2,6-dioxopiperidin-3-yl)-N-methylformamide;methanamine
CID 156711586
N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide
CID 176968593
N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane
CID 156860973
N-(2,3-dimethoxy-4-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)formamide
CID 177010821
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane
CID 154670610
tert-butyl 6-[2-[4-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-3-methylphenoxy]ethyl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 154672437
4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide
CID 166694940
3-(4-hexoxyphenyl)piperidine-2,6-dione
CID 172584857

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane?
The IUPAC name of 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane (CID 176968223) is 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane.
What is the SMILES notation for 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane?
The canonical SMILES for 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane is CC.CCCC=O.Cc1cc(OCCN)ccc1N(C)C1CCC(=O)NC1=O.
What is the InChIKey of 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane?
The InChIKey is KGAKUBNIQSBIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.C4H8O.C2H6/c1-10-9-11(21-8-7-16)3-4-12(10)18(2)13-5-6-14(19)17-15(13)20;1-2-3-4-5;1-2/h3-4,9,13H,5-8,16H2,1-2H3,(H,17,19,20);4H,2-3H2,1H3;1-2H3.
What are the key properties of 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane?
3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane has a molecular weight of 393.53 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane is sourced from PubChem (CID 176968223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).