N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide

C15H25N3O6 — CID 54131664

IUPACN'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide
SMILESCC(CC(=O)NCc1cc(O)n(C)c1O)C(=O)N(CCO)CCO
InChIInChI=1S/C15H25N3O6/c1-10(14(23)18(3-5-19)4-6-20)7-12(21)16-9-11-8-13(22)17(2)15(11)24/h8,10,19-20,22,24H,3-7,9H2,1-2H3,(H,16,21)
InChIKeyNUUJIIPPKBSIMV-UHFFFAOYSA-N
MW343.38 g/mol
LogP-1.11
Rot. Bonds9

About N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide

N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide (PubChem CID 54131664) has the molecular formula C15H25N3O6 and a molecular weight of 343.38 g/mol. Its IUPAC name is N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide.

Molecular Properties

Compound NameN'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide
PubChem CID54131664
Molecular FormulaC15H25N3O6
Molecular Weight343.38 g/mol
Exact Mass343.17
IUPAC NameN'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide
SMILESCC(CC(=O)NCc1cc(O)n(C)c1O)C(=O)N(CCO)CCO
InChIInChI=1S/C15H25N3O6/c1-10(14(23)18(3-5-19)4-6-20)7-12(21)16-9-11-8-13(22)17(2)15(11)24/h8,10,19-20,22,24H,3-7,9H2,1-2H3,(H,16,21)
InChIKeyNUUJIIPPKBSIMV-UHFFFAOYSA-N
XLogP-1.11
TPSA135.26 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 5-1.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide
CID 54146652
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-(2,5-dihydroxy-3-methylpyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylbutoxy)-2-methylpropanamide
CID 90823851
3-[[3-(2,5-Dihydroxy-3-methylpyrrol-1-yl)-4-(methylamino)-4-oxobutanoyl]amino]propyl-trimethylazanium
CID 90858628
4-(2,5-dihydroxypyrrol-1-yl)-N-methylbutanamide
CID 90861012
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
CID 90947988
2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide
CID 90962872
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-[2-[[2-[2-[2-(propanoylamino)ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
CID 91000341
5-(2,5-dihydroxypyrrol-1-yl)-N-(3-methoxypropyl)-5-oxopentanamide
CID 91018453
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 N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide?
The IUPAC name of N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide (CID 54131664) is N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide.
What is the SMILES notation for N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide?
The canonical SMILES for N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide is CC(CC(=O)NCc1cc(O)n(C)c1O)C(=O)N(CCO)CCO.
What is the InChIKey of N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide?
The InChIKey is NUUJIIPPKBSIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O6/c1-10(14(23)18(3-5-19)4-6-20)7-12(21)16-9-11-8-13(22)17(2)15(11)24/h8,10,19-20,22,24H,3-7,9H2,1-2H3,(H,16,21).
What are the key properties of N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide?
N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide has a molecular weight of 343.38 g/mol, XLogP of -1.11, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide is sourced from PubChem (CID 54131664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).