3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide

C15H24N2O6 — CID 123736707

IUPAC3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide
SMILESCC(=O)COCCOCCNC(=O)CCn1c(O)cc(C)c1O
InChIInChI=1S/C15H24N2O6/c1-11-9-14(20)17(15(11)21)5-3-13(19)16-4-6-22-7-8-23-10-12(2)18/h9,20-21H,3-8,10H2,1-2H3,(H,16,19)
InChIKeyILNNDXXRPDHXLE-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.34
Rot. Bonds11

About 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide

3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide (PubChem CID 123736707) has the molecular formula C15H24N2O6 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide
PubChem CID123736707
Molecular FormulaC15H24N2O6
Molecular Weight328.37 g/mol
Exact Mass328.16
IUPAC Name3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide
SMILESCC(=O)COCCOCCNC(=O)CCn1c(O)cc(C)c1O
InChIInChI=1S/C15H24N2O6/c1-11-9-14(20)17(15(11)21)5-3-13(19)16-4-6-22-7-8-23-10-12(2)18/h9,20-21H,3-8,10H2,1-2H3,(H,16,19)
InChIKeyILNNDXXRPDHXLE-UHFFFAOYSA-N
XLogP0.34
TPSA110.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,5-dihydroxypyrrol-1-yl)ethylperoxymethyl]-N-[(2R)-4-methylpentan-2-yl]oxirane-2-carboxamide
CID 53885136
N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide
CID 54131664
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide
CID 90740310
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide
CID 90809410
N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylpentoxy)-2-methylpropanamide
CID 90822953
N-[2-[2-[2-[4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide
CID 90823851
1-[2-[2-(2,5-Dihydroxy-3-methylpyrrol-1-yl)ethoxy]ethoxy]propan-2-one
CID 90859132
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
CID 90947988
N-[2-[2-[2-[[2-amino-2-(3-methoxy-3-methylbutoxy)propanoyl]amino]ethoxy]ethoxy]ethyl]-4-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanamide
CID 90963090
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
CID 91000341
2-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N'-(2-hydroxyethyl)-N-methylbutanediamide
CID 91082899
4-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-methylbutanamide
CID 91091349

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide (CID 123736707) is 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide is CC(=O)COCCOCCNC(=O)CCn1c(O)cc(C)c1O.
What is the InChIKey of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide?
The InChIKey is ILNNDXXRPDHXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O6/c1-11-9-14(20)17(15(11)21)5-3-13(19)16-4-6-22-7-8-23-10-12(2)18/h9,20-21H,3-8,10H2,1-2H3,(H,16,19).
What are the key properties of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide?
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide has a molecular weight of 328.37 g/mol, XLogP of 0.34, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide is sourced from PubChem (CID 123736707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).