N-[1-(2,3-dihydroxypropoxy)propyl]-2-(2,5-dioxopyrrol-1-yl)propanamide

C13H20N2O6 — CID 70645249

IUPACN-[1-(2,3-dihydroxypropoxy)propyl]-2-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCCC(NC(=O)C(C)N1C(=O)C=CC1=O)OCC(O)CO
InChIInChI=1S/C13H20N2O6/c1-3-10(21-7-9(17)6-16)14-13(20)8(2)15-11(18)4-5-12(15)19/h4-5,8-10,16-17H,3,6-7H2,1-2H3,(H,14,20)
InChIKeyDUDCJMLDFISYTN-UHFFFAOYSA-N
MW300.31 g/mol
LogP-1.48
Rot. Bonds8

About N-[1-(2,3-dihydroxypropoxy)propyl]-2-(2,5-dioxopyrrol-1-yl)propanamide

N-[1-(2,3-dihydroxypropoxy)propyl]-2-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 70645249) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[1-(2,3-dihydroxypropoxy)propyl]-2-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydroxypropoxy)propyl]-2-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID70645249
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC NameN-[1-(2,3-dihydroxypropoxy)propyl]-2-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCCC(NC(=O)C(C)N1C(=O)C=CC1=O)OCC(O)CO
InChIInChI=1S/C13H20N2O6/c1-3-10(21-7-9(17)6-16)14-13(20)8(2)15-11(18)4-5-12(15)19/h4-5,8-10,16-17H,3,6-7H2,1-2H3,(H,14,20)
InChIKeyDUDCJMLDFISYTN-UHFFFAOYSA-N
XLogP-1.48
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
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-(2,3-dihydroxypropoxy)propyl]-2-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[1-(2,3-dihydroxypropoxy)propyl]-2-(2,5-dioxopyrrol-1-yl)propanamide (CID 70645249) is N-[1-(2,3-dihydroxypropoxy)propyl]-2-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[1-(2,3-dihydroxypropoxy)propyl]-2-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[1-(2,3-dihydroxypropoxy)propyl]-2-(2,5-dioxopyrrol-1-yl)propanamide is CCC(NC(=O)C(C)N1C(=O)C=CC1=O)OCC(O)CO.
What is the InChIKey of N-[1-(2,3-dihydroxypropoxy)propyl]-2-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is DUDCJMLDFISYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6/c1-3-10(21-7-9(17)6-16)14-13(20)8(2)15-11(18)4-5-12(15)19/h4-5,8-10,16-17H,3,6-7H2,1-2H3,(H,14,20).
What are the key properties of N-[1-(2,3-dihydroxypropoxy)propyl]-2-(2,5-dioxopyrrol-1-yl)propanamide?
N-[1-(2,3-dihydroxypropoxy)propyl]-2-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 300.31 g/mol, XLogP of -1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydroxypropoxy)propyl]-2-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 70645249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).