5-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-3,3,5-trimethyl-N-(propan-2-ylideneamino)hexanamide

C19H33N3O3 — CID 90809835

IUPAC5-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-3,3,5-trimethyl-N-(propan-2-ylideneamino)hexanamide
SMILESCC(C)=NNC(=O)CC(C)(C)CC(C)(C)n1c(O)cc(C(C)C)c1O
InChIInChI=1S/C19H33N3O3/c1-12(2)14-9-16(24)22(17(14)25)19(7,8)11-18(5,6)10-15(23)21-20-13(3)4/h9,12,24-25H,10-11H2,1-8H3,(H,21,23)
InChIKeyJIAPDMHNUCNFQZ-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.08
Rot. Bonds7

About 5-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-3,3,5-trimethyl-N-(propan-2-ylideneamino)hexanamide

5-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-3,3,5-trimethyl-N-(propan-2-ylideneamino)hexanamide (PubChem CID 90809835) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 5-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-3,3,5-trimethyl-N-(propan-2-ylideneamino)hexanamide.

Molecular Properties

Compound Name5-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-3,3,5-trimethyl-N-(propan-2-ylideneamino)hexanamide
PubChem CID90809835
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name5-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-3,3,5-trimethyl-N-(propan-2-ylideneamino)hexanamide
SMILESCC(C)=NNC(=O)CC(C)(C)CC(C)(C)n1c(O)cc(C(C)C)c1O
InChIInChI=1S/C19H33N3O3/c1-12(2)14-9-16(24)22(17(14)25)19(7,8)11-18(5,6)10-15(23)21-20-13(3)4/h9,12,24-25H,10-11H2,1-8H3,(H,21,23)
InChIKeyJIAPDMHNUCNFQZ-UHFFFAOYSA-N
XLogP4.08
TPSA86.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-3,3,5-trimethyl-N-(propan-2-ylideneamino)hexanamide?
The IUPAC name of 5-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-3,3,5-trimethyl-N-(propan-2-ylideneamino)hexanamide (CID 90809835) is 5-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-3,3,5-trimethyl-N-(propan-2-ylideneamino)hexanamide.
What is the SMILES notation for 5-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-3,3,5-trimethyl-N-(propan-2-ylideneamino)hexanamide?
The canonical SMILES for 5-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-3,3,5-trimethyl-N-(propan-2-ylideneamino)hexanamide is CC(C)=NNC(=O)CC(C)(C)CC(C)(C)n1c(O)cc(C(C)C)c1O.
What is the InChIKey of 5-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-3,3,5-trimethyl-N-(propan-2-ylideneamino)hexanamide?
The InChIKey is JIAPDMHNUCNFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-12(2)14-9-16(24)22(17(14)25)19(7,8)11-18(5,6)10-15(23)21-20-13(3)4/h9,12,24-25H,10-11H2,1-8H3,(H,21,23).
What are the key properties of 5-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-3,3,5-trimethyl-N-(propan-2-ylideneamino)hexanamide?
5-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-3,3,5-trimethyl-N-(propan-2-ylideneamino)hexanamide has a molecular weight of 351.49 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydroxy-3-propan-2-ylpyrrol-1-yl)-3,3,5-trimethyl-N-(propan-2-ylideneamino)hexanamide is sourced from PubChem (CID 90809835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).