2,5-dihydroxy-3-methyl-N-[2-(2-propoxyethoxy)ethyl]pyrrole-1-carboxamide

C13H22N2O5 — CID 123208761

IUPAC2,5-dihydroxy-3-methyl-N-[2-(2-propoxyethoxy)ethyl]pyrrole-1-carboxamide
SMILESCCCOCCOCCNC(=O)n1c(O)cc(C)c1O
InChIInChI=1S/C13H22N2O5/c1-3-5-19-7-8-20-6-4-14-13(18)15-11(16)9-10(2)12(15)17/h9,16-17H,3-8H2,1-2H3,(H,14,18)
InChIKeyHOJJEMUGLVJKGB-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.21
Rot. Bonds8

About 2,5-dihydroxy-3-methyl-N-[2-(2-propoxyethoxy)ethyl]pyrrole-1-carboxamide

2,5-dihydroxy-3-methyl-N-[2-(2-propoxyethoxy)ethyl]pyrrole-1-carboxamide (PubChem CID 123208761) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2,5-dihydroxy-3-methyl-N-[2-(2-propoxyethoxy)ethyl]pyrrole-1-carboxamide.

Molecular Properties

Compound Name2,5-dihydroxy-3-methyl-N-[2-(2-propoxyethoxy)ethyl]pyrrole-1-carboxamide
PubChem CID123208761
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2,5-dihydroxy-3-methyl-N-[2-(2-propoxyethoxy)ethyl]pyrrole-1-carboxamide
SMILESCCCOCCOCCNC(=O)n1c(O)cc(C)c1O
InChIInChI=1S/C13H22N2O5/c1-3-5-19-7-8-20-6-4-14-13(18)15-11(16)9-10(2)12(15)17/h9,16-17H,3-8H2,1-2H3,(H,14,18)
InChIKeyHOJJEMUGLVJKGB-UHFFFAOYSA-N
XLogP1.21
TPSA92.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide
CID 54131664
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
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
CID 90947988
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
CID 91000341
N-[2-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethyl]-3-(2,5-dihydroxy-3-methylpyrrol-1-yl)propanamide
CID 91209044
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
CID 91245585
3-(2,5-Dihydroxy-3-methylpyrrol-1-yl)propyl 2-(pentanoylamino)acetate
CID 91338410
methyl N-[2-(2,5-dihydroxy-3-methylpyrrol-1-yl)ethyl]carbamate
CID 91452715
3-[2-[2-[3-(2,5-Dihydroxy-3-methylpyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoic acid
CID 123443469
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 123725864
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide
CID 123736707
3-(2,5-dihydroxypyrrol-1-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 123738072

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-3-methyl-N-[2-(2-propoxyethoxy)ethyl]pyrrole-1-carboxamide?
The IUPAC name of 2,5-dihydroxy-3-methyl-N-[2-(2-propoxyethoxy)ethyl]pyrrole-1-carboxamide (CID 123208761) is 2,5-dihydroxy-3-methyl-N-[2-(2-propoxyethoxy)ethyl]pyrrole-1-carboxamide.
What is the SMILES notation for 2,5-dihydroxy-3-methyl-N-[2-(2-propoxyethoxy)ethyl]pyrrole-1-carboxamide?
The canonical SMILES for 2,5-dihydroxy-3-methyl-N-[2-(2-propoxyethoxy)ethyl]pyrrole-1-carboxamide is CCCOCCOCCNC(=O)n1c(O)cc(C)c1O.
What is the InChIKey of 2,5-dihydroxy-3-methyl-N-[2-(2-propoxyethoxy)ethyl]pyrrole-1-carboxamide?
The InChIKey is HOJJEMUGLVJKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-3-5-19-7-8-20-6-4-14-13(18)15-11(16)9-10(2)12(15)17/h9,16-17H,3-8H2,1-2H3,(H,14,18).
What are the key properties of 2,5-dihydroxy-3-methyl-N-[2-(2-propoxyethoxy)ethyl]pyrrole-1-carboxamide?
2,5-dihydroxy-3-methyl-N-[2-(2-propoxyethoxy)ethyl]pyrrole-1-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-3-methyl-N-[2-(2-propoxyethoxy)ethyl]pyrrole-1-carboxamide is sourced from PubChem (CID 123208761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).