N-hexyl-2,4,6-trihydroxybenzamide

C13H19NO4 — CID 14837586

IUPACN-hexyl-2,4,6-trihydroxybenzamide
SMILESCCCCCCNC(=O)c1c(O)cc(O)cc1O
InChIInChI=1S/C13H19NO4/c1-2-3-4-5-6-14-13(18)12-10(16)7-9(15)8-11(12)17/h7-8,15-17H,2-6H2,1H3,(H,14,18)
InChIKeyZNQZQGJQFWARPF-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.11
Rot. Bonds6

About N-hexyl-2,4,6-trihydroxybenzamide

N-hexyl-2,4,6-trihydroxybenzamide (PubChem CID 14837586) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-hexyl-2,4,6-trihydroxybenzamide.

Molecular Properties

Compound NameN-hexyl-2,4,6-trihydroxybenzamide
PubChem CID14837586
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-hexyl-2,4,6-trihydroxybenzamide
SMILESCCCCCCNC(=O)c1c(O)cc(O)cc1O
InChIInChI=1S/C13H19NO4/c1-2-3-4-5-6-14-13(18)12-10(16)7-9(15)8-11(12)17/h7-8,15-17H,2-6H2,1H3,(H,14,18)
InChIKeyZNQZQGJQFWARPF-UHFFFAOYSA-N
XLogP2.11
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-heptyl-2,4,6-trihydroxy-3-nitrobenzamide
CID 5272621
N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide
CID 15131759
N-decyl-4-hydroxybenzamide
CID 15277871
N-butyl-3,5-dihydroxybenzamide
CID 91715801
3-hydroxy-N-octylbenzamide
CID 115568584
1-[(2,4-dihydroxybenzoyl)amino]-3-octadecylurea
CID 57158847
2-hydroxy-4-methyl-N-octylbenzamide
CID 115568594
4,6-bis(hexylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 156689040
1-hexyl-N-[6-[(1-hexylpyridin-1-ium-4-carbonyl)amino]hexyl]pyridin-1-ium-4-carboxamide
CID 11467950
N-hexyl-3-hydroxy-4-iodobenzamide
CID 104627562
4-amino-N-dodecyl-3-hydroxybenzamide
CID 22411110
3-hydroxy-4-nitro-N-octylbenzamide
CID 107076296

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2,4,6-trihydroxybenzamide?
The IUPAC name of N-hexyl-2,4,6-trihydroxybenzamide (CID 14837586) is N-hexyl-2,4,6-trihydroxybenzamide.
What is the SMILES notation for N-hexyl-2,4,6-trihydroxybenzamide?
The canonical SMILES for N-hexyl-2,4,6-trihydroxybenzamide is CCCCCCNC(=O)c1c(O)cc(O)cc1O.
What is the InChIKey of N-hexyl-2,4,6-trihydroxybenzamide?
The InChIKey is ZNQZQGJQFWARPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-2-3-4-5-6-14-13(18)12-10(16)7-9(15)8-11(12)17/h7-8,15-17H,2-6H2,1H3,(H,14,18).
What are the key properties of N-hexyl-2,4,6-trihydroxybenzamide?
N-hexyl-2,4,6-trihydroxybenzamide has a molecular weight of 253.30 g/mol, XLogP of 2.11, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2,4,6-trihydroxybenzamide is sourced from PubChem (CID 14837586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).