N-(2,6-dioxopiperidin-3-yl)-3-[2-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-2-oxoethoxy]-2-methylbenzamide

C25H28N4O7 — CID 156542321

IUPACN-(2,6-dioxopiperidin-3-yl)-3-[2-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-2-oxoethoxy]-2-methylbenzamide
SMILESCOCC(=O)NCc1cccc(NC(=O)COc2cccc(C(=O)NC3CCC(=O)NC3=O)c2C)c1
InChIInChI=1S/C25H28N4O7/c1-15-18(24(33)28-19-9-10-21(30)29-25(19)34)7-4-8-20(15)36-14-23(32)27-17-6-3-5-16(11-17)12-26-22(31)13-35-2/h3-8,11,19H,9-10,12-14H2,1-2H3,(H,26,31)(H,27,32)(H,28,33)(H,29,30,34)
InChIKeyUCKNGSAELFNLRK-UHFFFAOYSA-N
MW496.52 g/mol
LogP0.81
Rot. Bonds10

About N-(2,6-dioxopiperidin-3-yl)-3-[2-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-2-oxoethoxy]-2-methylbenzamide

N-(2,6-dioxopiperidin-3-yl)-3-[2-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-2-oxoethoxy]-2-methylbenzamide (PubChem CID 156542321) has the molecular formula C25H28N4O7 and a molecular weight of 496.52 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-3-[2-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-2-oxoethoxy]-2-methylbenzamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-3-[2-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-2-oxoethoxy]-2-methylbenzamide
PubChem CID156542321
Molecular FormulaC25H28N4O7
Molecular Weight496.52 g/mol
Exact Mass496.20
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-3-[2-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-2-oxoethoxy]-2-methylbenzamide
SMILESCOCC(=O)NCc1cccc(NC(=O)COc2cccc(C(=O)NC3CCC(=O)NC3=O)c2C)c1
InChIInChI=1S/C25H28N4O7/c1-15-18(24(33)28-19-9-10-21(30)29-25(19)34)7-4-8-20(15)36-14-23(32)27-17-6-3-5-16(11-17)12-26-22(31)13-35-2/h3-8,11,19H,9-10,12-14H2,1-2H3,(H,26,31)(H,27,32)(H,28,33)(H,29,30,34)
InChIKeyUCKNGSAELFNLRK-UHFFFAOYSA-N
XLogP0.81
TPSA151.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide
CID 121448796
N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 39575947
3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
CID 145229590
tert-butyl 2-[3-[(2,7-dioxoazepan-3-yl)carbamoyl]-2-fluorophenoxy]acetate
CID 171843869
tert-butyl N-[3-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-3-oxopropyl]carbamate
CID 108921371
2-(2-tert-butyl-4-methylphenoxy)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 154810739
[3-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethoxy]-2-formylphenyl]boronic acid
CID 166428787
N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 153384900
2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921514
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide
CID 168946490

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-[2-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-2-oxoethoxy]-2-methylbenzamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-[2-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-2-oxoethoxy]-2-methylbenzamide (CID 156542321) is N-(2,6-dioxopiperidin-3-yl)-3-[2-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-2-oxoethoxy]-2-methylbenzamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-3-[2-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-2-oxoethoxy]-2-methylbenzamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-3-[2-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-2-oxoethoxy]-2-methylbenzamide is COCC(=O)NCc1cccc(NC(=O)COc2cccc(C(=O)NC3CCC(=O)NC3=O)c2C)c1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-3-[2-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-2-oxoethoxy]-2-methylbenzamide?
The InChIKey is UCKNGSAELFNLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O7/c1-15-18(24(33)28-19-9-10-21(30)29-25(19)34)7-4-8-20(15)36-14-23(32)27-17-6-3-5-16(11-17)12-26-22(31)13-35-2/h3-8,11,19H,9-10,12-14H2,1-2H3,(H,26,31)(H,27,32)(H,28,33)(H,29,30,34).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-3-[2-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-2-oxoethoxy]-2-methylbenzamide?
N-(2,6-dioxopiperidin-3-yl)-3-[2-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-2-oxoethoxy]-2-methylbenzamide has a molecular weight of 496.52 g/mol, XLogP of 0.81, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-3-[2-[3-[[(2-methoxyacetyl)amino]methyl]anilino]-2-oxoethoxy]-2-methylbenzamide is sourced from PubChem (CID 156542321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).