N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide

C13H19NO5 — CID 3089815

IUPACN-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide
SMILESCc1ccc(NC(=O)C(O)C(O)C(O)CO)cc1C
InChIInChI=1S/C13H19NO5/c1-7-3-4-9(5-8(7)2)14-13(19)12(18)11(17)10(16)6-15/h3-5,10-12,15-18H,6H2,1-2H3,(H,14,19)
InChIKeyQNRFMBRRBOYLJH-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.68
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide

N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide (PubChem CID 3089815) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide
PubChem CID3089815
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC NameN-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide
SMILESCc1ccc(NC(=O)C(O)C(O)C(O)CO)cc1C
InChIInChI=1S/C13H19NO5/c1-7-3-4-9(5-8(7)2)14-13(19)12(18)11(17)10(16)6-15/h3-5,10-12,15-18H,6H2,1-2H3,(H,14,19)
InChIKeyQNRFMBRRBOYLJH-UHFFFAOYSA-N
XLogP-0.68
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide (CID 3089815) is N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide is Cc1ccc(NC(=O)C(O)C(O)C(O)CO)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide?
The InChIKey is QNRFMBRRBOYLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-7-3-4-9(5-8(7)2)14-13(19)12(18)11(17)10(16)6-15/h3-5,10-12,15-18H,6H2,1-2H3,(H,14,19).
What are the key properties of N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide?
N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide has a molecular weight of 269.30 g/mol, XLogP of -0.68, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide is sourced from PubChem (CID 3089815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).