N-[1-(2-amino-2-oxoethoxy)-1-ethoxyethyl]-2-(2,5-dioxopyrrol-1-yl)propanamide

C13H19N3O6 — CID 22272296

IUPACN-[1-(2-amino-2-oxoethoxy)-1-ethoxyethyl]-2-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCCOC(C)(NC(=O)C(C)N1C(=O)C=CC1=O)OCC(N)=O
InChIInChI=1S/C13H19N3O6/c1-4-21-13(3,22-7-9(14)17)15-12(20)8(2)16-10(18)5-6-11(16)19/h5-6,8H,4,7H2,1-3H3,(H2,14,17)(H,15,20)
InChIKeyODONJWVWCZNWGX-UHFFFAOYSA-N
MW313.31 g/mol
LogP-1.37
Rot. Bonds8

About N-[1-(2-amino-2-oxoethoxy)-1-ethoxyethyl]-2-(2,5-dioxopyrrol-1-yl)propanamide

N-[1-(2-amino-2-oxoethoxy)-1-ethoxyethyl]-2-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 22272296) has the molecular formula C13H19N3O6 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethoxy)-1-ethoxyethyl]-2-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethoxy)-1-ethoxyethyl]-2-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID22272296
Molecular FormulaC13H19N3O6
Molecular Weight313.31 g/mol
Exact Mass313.13
IUPAC NameN-[1-(2-amino-2-oxoethoxy)-1-ethoxyethyl]-2-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCCOC(C)(NC(=O)C(C)N1C(=O)C=CC1=O)OCC(N)=O
InChIInChI=1S/C13H19N3O6/c1-4-21-13(3,22-7-9(14)17)15-12(20)8(2)16-10(18)5-6-11(16)19/h5-6,8H,4,7H2,1-3H3,(H2,14,17)(H,15,20)
InChIKeyODONJWVWCZNWGX-UHFFFAOYSA-N
XLogP-1.37
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethoxy)-1-ethoxyethyl]-2-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[1-(2-amino-2-oxoethoxy)-1-ethoxyethyl]-2-(2,5-dioxopyrrol-1-yl)propanamide (CID 22272296) is N-[1-(2-amino-2-oxoethoxy)-1-ethoxyethyl]-2-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethoxy)-1-ethoxyethyl]-2-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethoxy)-1-ethoxyethyl]-2-(2,5-dioxopyrrol-1-yl)propanamide is CCOC(C)(NC(=O)C(C)N1C(=O)C=CC1=O)OCC(N)=O.
What is the InChIKey of N-[1-(2-amino-2-oxoethoxy)-1-ethoxyethyl]-2-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is ODONJWVWCZNWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O6/c1-4-21-13(3,22-7-9(14)17)15-12(20)8(2)16-10(18)5-6-11(16)19/h5-6,8H,4,7H2,1-3H3,(H2,14,17)(H,15,20).
What are the key properties of N-[1-(2-amino-2-oxoethoxy)-1-ethoxyethyl]-2-(2,5-dioxopyrrol-1-yl)propanamide?
N-[1-(2-amino-2-oxoethoxy)-1-ethoxyethyl]-2-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 313.31 g/mol, XLogP of -1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethoxy)-1-ethoxyethyl]-2-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 22272296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).