N-butyl-3,5-dihydroxybenzamide

C11H15NO3 — CID 91715801

IUPACN-butyl-3,5-dihydroxybenzamide
SMILESCCCCNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C11H15NO3/c1-2-3-4-12-11(15)8-5-9(13)7-10(14)6-8/h5-7,13-14H,2-4H2,1H3,(H,12,15)
InChIKeyIQXZTOQYWQMRFN-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.63
Rot. Bonds4

About N-butyl-3,5-dihydroxybenzamide

N-butyl-3,5-dihydroxybenzamide (PubChem CID 91715801) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-butyl-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-butyl-3,5-dihydroxybenzamide
PubChem CID91715801
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC NameN-butyl-3,5-dihydroxybenzamide
SMILESCCCCNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C11H15NO3/c1-2-3-4-12-11(15)8-5-9(13)7-10(14)6-8/h5-7,13-14H,2-4H2,1H3,(H,12,15)
InChIKeyIQXZTOQYWQMRFN-UHFFFAOYSA-N
XLogP1.63
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide
CID 108542562
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
N-butyl-3-hydroxy-5-nitrobenzamide
CID 125116137
N-(3-chloropropyl)-3,5-dihydroxybenzamide
CID 107705954
N-butyl-3,5-dimethylbenzamide
CID 17190927
N-butyl-3-(difluoromethoxy)-5-hydroxybenzamide
CID 171382844
3,5-dihydroxy-N-(3-methylsulfinylpropyl)benzamide
CID 103895676
N-(6-chlorohexyl)-3,5-dihydroxybenzamide
CID 107847362
3-hydroxy-N-octylbenzamide
CID 115568584
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540173
N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide
CID 108575005

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,5-dihydroxybenzamide?
The IUPAC name of N-butyl-3,5-dihydroxybenzamide (CID 91715801) is N-butyl-3,5-dihydroxybenzamide.
What is the SMILES notation for N-butyl-3,5-dihydroxybenzamide?
The canonical SMILES for N-butyl-3,5-dihydroxybenzamide is CCCCNC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-butyl-3,5-dihydroxybenzamide?
The InChIKey is IQXZTOQYWQMRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-3-4-12-11(15)8-5-9(13)7-10(14)6-8/h5-7,13-14H,2-4H2,1H3,(H,12,15).
What are the key properties of N-butyl-3,5-dihydroxybenzamide?
N-butyl-3,5-dihydroxybenzamide has a molecular weight of 209.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,5-dihydroxybenzamide is sourced from PubChem (CID 91715801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).