2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide

C18H19N3O5 — CID 143269994

IUPAC2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide
SMILESC[C@]1(CC2C(=O)c3cccc(NC(=O)CN)c3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C18H19N3O5/c1-18(6-5-12(22)21-17(18)26)7-10-15(24)9-3-2-4-11(14(9)16(10)25)20-13(23)8-19/h2-4,10H,5-8,19H2,1H3,(H,20,23)(H,21,22,26)/t10?,18-/m1/s1
InChIKeyJPZATLYKMDKAQW-RXUIWSPKSA-N
MW357.37 g/mol
LogP0.41
Rot. Bonds4

About 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide

2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide (PubChem CID 143269994) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide
PubChem CID143269994
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide
SMILESC[C@]1(CC2C(=O)c3cccc(NC(=O)CN)c3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C18H19N3O5/c1-18(6-5-12(22)21-17(18)26)7-10-15(24)9-3-2-4-11(14(9)16(10)25)20-13(23)8-19/h2-4,10H,5-8,19H2,1H3,(H,20,23)(H,21,22,26)/t10?,18-/m1/s1
InChIKeyJPZATLYKMDKAQW-RXUIWSPKSA-N
XLogP0.41
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide?
The IUPAC name of 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide (CID 143269994) is 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide?
The canonical SMILES for 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide is C[C@]1(CC2C(=O)c3cccc(NC(=O)CN)c3C2=O)CCC(=O)NC1=O.
What is the InChIKey of 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide?
The InChIKey is JPZATLYKMDKAQW-RXUIWSPKSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-18(6-5-12(22)21-17(18)26)7-10-15(24)9-3-2-4-11(14(9)16(10)25)20-13(23)8-19/h2-4,10H,5-8,19H2,1H3,(H,20,23)(H,21,22,26)/t10?,18-/m1/s1.
What are the key properties of 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide?
2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide has a molecular weight of 357.37 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]methyl]-1,3-dioxoinden-4-yl]acetamide is sourced from PubChem (CID 143269994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).