2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide

C21H29N3O6 — CID 145381944

IUPAC2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide
SMILESCc1cccc(CCCOCCOCCN)c1C(=O)N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C21H29N3O6/c1-15-4-2-5-16(6-3-10-29-12-13-30-11-9-22)19(15)21(28)24(14-25)17-7-8-18(26)23-20(17)27/h2,4-5,14,17H,3,6-13,22H2,1H3,(H,23,26,27)
InChIKeyXSSXNESLGNCXLX-UHFFFAOYSA-N
MW419.48 g/mol
LogP0.32
Rot. Bonds12

About 2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide

2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide (PubChem CID 145381944) has the molecular formula C21H29N3O6 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide.

Molecular Properties

Compound Name2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide
PubChem CID145381944
Molecular FormulaC21H29N3O6
Molecular Weight419.48 g/mol
Exact Mass419.21
IUPAC Name2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide
SMILESCc1cccc(CCCOCCOCCN)c1C(=O)N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C21H29N3O6/c1-15-4-2-5-16(6-3-10-29-12-13-30-11-9-22)19(15)21(28)24(14-25)17-7-8-18(26)23-20(17)27/h2,4-5,14,17H,3,6-13,22H2,1H3,(H,23,26,27)
InChIKeyXSSXNESLGNCXLX-UHFFFAOYSA-N
XLogP0.32
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide
CID 145256134
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane
CID 163374446
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-propan-2-ylbenzamide;N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-6-propan-2-ylphenyl)methyl]formamide
CID 162438893
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-formyl-2-methylbenzamide
CID 154690274
3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
CID 145229590
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,4-dimethylbenzamide;ethane
CID 170953386
N-(2,6-dioxopiperidin-3-yl)-2-formyl-6-(5-hydroxypentyl)-N-methylbenzamide
CID 170109243
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,5-dimethylcyclopenta-1,4-diene-1-carboxamide
CID 155358156
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane
CID 154670610
N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide
CID 171641343
4-[3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 155292239
3-[[(2E,4E)-6-amino-2,5-dimethylhexa-2,4-dienyl]amino]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
CID 170384418

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide?
The IUPAC name of 2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide (CID 145381944) is 2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide.
What is the SMILES notation for 2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide?
The canonical SMILES for 2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide is Cc1cccc(CCCOCCOCCN)c1C(=O)N(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of 2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide?
The InChIKey is XSSXNESLGNCXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O6/c1-15-4-2-5-16(6-3-10-29-12-13-30-11-9-22)19(15)21(28)24(14-25)17-7-8-18(26)23-20(17)27/h2,4-5,14,17H,3,6-13,22H2,1H3,(H,23,26,27).
What are the key properties of 2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide?
2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide has a molecular weight of 419.48 g/mol, XLogP of 0.32, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-aminoethoxy)ethoxy]propyl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide is sourced from PubChem (CID 145381944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).