3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide

C15H24N2O4 — CID 90809410

IUPAC3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide
SMILESCC(=O)CCCCCNC(=O)CCn1c(O)cc(C)c1O
InChIInChI=1S/C15H24N2O4/c1-11-10-14(20)17(15(11)21)9-7-13(19)16-8-5-3-4-6-12(2)18/h10,20-21H,3-9H2,1-2H3,(H,16,19)
InChIKeyCIGKRQZXVRQQPX-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.86
Rot. Bonds9

About 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide

3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide (PubChem CID 90809410) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide
PubChem CID90809410
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide
SMILESCC(=O)CCCCCNC(=O)CCn1c(O)cc(C)c1O
InChIInChI=1S/C15H24N2O4/c1-11-10-14(20)17(15(11)21)9-7-13(19)16-8-5-3-4-6-12(2)18/h10,20-21H,3-9H2,1-2H3,(H,16,19)
InChIKeyCIGKRQZXVRQQPX-UHFFFAOYSA-N
XLogP1.86
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[13-(2,5-dihydroxypyrrol-1-yl)-12-oxotridecyl]-2,2,2-trifluoroacetamide
CID 91303808
(2,5-Dihydroxypyrrol-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate
CID 53745223
6-(2,5-Dihydroxypyrrol-1-yl)hexanamide
CID 54034188
N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide
CID 54131664
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
7-(2,5-Dihydroxy-3-methylpyrrol-1-yl)heptan-2-one
CID 90762593
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
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 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide?
The IUPAC name of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide (CID 90809410) is 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide.
What is the SMILES notation for 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide?
The canonical SMILES for 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide is CC(=O)CCCCCNC(=O)CCn1c(O)cc(C)c1O.
What is the InChIKey of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide?
The InChIKey is CIGKRQZXVRQQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11-10-14(20)17(15(11)21)9-7-13(19)16-8-5-3-4-6-12(2)18/h10,20-21H,3-9H2,1-2H3,(H,16,19).
What are the key properties of 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide?
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide has a molecular weight of 296.37 g/mol, XLogP of 1.86, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide is sourced from PubChem (CID 90809410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).