N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide

C18H18N4O6 — CID 58572144

IUPACN-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1(N2C(=O)c3cccc(NC(C)=O)c3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C18H18N4O6/c1-9(23)19-8-18(7-6-13(25)21-17(18)28)22-15(26)11-4-3-5-12(20-10(2)24)14(11)16(22)27/h3-5H,6-8H2,1-2H3,(H,19,23)(H,20,24)(H,21,25,28)
InChIKeyAWKNGQJZFRRSRZ-UHFFFAOYSA-N
MW386.36 g/mol
LogP-0.45
Rot. Bonds4

About N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide

N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide (PubChem CID 58572144) has the molecular formula C18H18N4O6 and a molecular weight of 386.36 g/mol. Its IUPAC name is N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide
PubChem CID58572144
Molecular FormulaC18H18N4O6
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC NameN-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1(N2C(=O)c3cccc(NC(C)=O)c3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C18H18N4O6/c1-9(23)19-8-18(7-6-13(25)21-17(18)28)22-15(26)11-4-3-5-12(20-10(2)24)14(11)16(22)27/h3-5H,6-8H2,1-2H3,(H,19,23)(H,20,24)(H,21,25,28)
InChIKeyAWKNGQJZFRRSRZ-UHFFFAOYSA-N
XLogP-0.45
TPSA141.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
CID 158707870
2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 11530279
benzyl N-[[3-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]carbamate
CID 58572152
N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide
CID 142663798
2-azido-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-4-yl]acetamide
CID 86607663
2-(3-benzyl-2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione
CID 166923724
4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166923781
N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 91166963
N-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 91346708
N-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 3898701
N-(1,3,4-trioxoisoquinolin-5-yl)acetamide
CID 11572178
4-(2,4-dimethoxyanilino)-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 58827353

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide (CID 58572144) is N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide is CC(=O)NCC1(N2C(=O)c3cccc(NC(C)=O)c3C2=O)CCC(=O)NC1=O.
What is the InChIKey of N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide?
The InChIKey is AWKNGQJZFRRSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O6/c1-9(23)19-8-18(7-6-13(25)21-17(18)28)22-15(26)11-4-3-5-12(20-10(2)24)14(11)16(22)27/h3-5H,6-8H2,1-2H3,(H,19,23)(H,20,24)(H,21,25,28).
What are the key properties of N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide?
N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide has a molecular weight of 386.36 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 58572144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).