aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide

C21H20N4O5 — CID 159636176

IUPACaniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.Nc1ccccc1
InChIInChI=1S/C15H13N3O5.C6H7N/c1-7(19)16-8-2-3-9-10(6-8)15(23)18(14(9)22)11-4-5-12(20)17-13(11)21;7-6-4-2-1-3-5-6/h2-3,6,11H,4-5H2,1H3,(H,16,19)(H,17,20,21);1-5H,7H2
InChIKeyMPTRZPHVKVASLU-UHFFFAOYSA-N
MW408.41 g/mol
LogP1.32
Rot. Bonds2

About aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide

aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide (PubChem CID 159636176) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide.

Molecular Properties

Compound Nameaniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide
PubChem CID159636176
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Nameaniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.Nc1ccccc1
InChIInChI=1S/C15H13N3O5.C6H7N/c1-7(19)16-8-2-3-9-10(6-8)15(23)18(14(9)22)11-4-5-12(20)17-13(11)21;7-6-4-2-1-3-5-6/h2-3,6,11H,4-5H2,1H3,(H,16,19)(H,17,20,21);1-5H,7H2
InChIKeyMPTRZPHVKVASLU-UHFFFAOYSA-N
XLogP1.32
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]butanamide
CID 163906697
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]prop-2-enamide
CID 121448709
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate
CID 171393695
2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide
CID 166426870
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide
CID 166426864
3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-2-oxoethoxy]propanoic acid
CID 166994465
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-[2-(3-methylphenyl)propan-2-yl]urea
CID 176565051
2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide
CID 175271647
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587

Frequently Asked Questions

What is the IUPAC name of aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide?
The IUPAC name of aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide (CID 159636176) is aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide.
What is the SMILES notation for aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide?
The canonical SMILES for aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.Nc1ccccc1.
What is the InChIKey of aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide?
The InChIKey is MPTRZPHVKVASLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5.C6H7N/c1-7(19)16-8-2-3-9-10(6-8)15(23)18(14(9)22)11-4-5-12(20)17-13(11)21;7-6-4-2-1-3-5-6/h2-3,6,11H,4-5H2,1H3,(H,16,19)(H,17,20,21);1-5H,7H2.
What are the key properties of aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide?
aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide has a molecular weight of 408.41 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide is sourced from PubChem (CID 159636176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).