N-(2-ethylbutyl)-2,6-dihydroxybenzamide

C13H19NO3 — CID 103890450

IUPACN-(2-ethylbutyl)-2,6-dihydroxybenzamide
SMILESCCC(CC)CNC(=O)c1c(O)cccc1O
InChIInChI=1S/C13H19NO3/c1-3-9(4-2)8-14-13(17)12-10(15)6-5-7-11(12)16/h5-7,9,15-16H,3-4,8H2,1-2H3,(H,14,17)
InChIKeyFMRJAJJXZHGQGP-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.26
Rot. Bonds5

About N-(2-ethylbutyl)-2,6-dihydroxybenzamide

N-(2-ethylbutyl)-2,6-dihydroxybenzamide (PubChem CID 103890450) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2,6-dihydroxybenzamide
PubChem CID103890450
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2-ethylbutyl)-2,6-dihydroxybenzamide
SMILESCCC(CC)CNC(=O)c1c(O)cccc1O
InChIInChI=1S/C13H19NO3/c1-3-9(4-2)8-14-13(17)12-10(15)6-5-7-11(12)16/h5-7,9,15-16H,3-4,8H2,1-2H3,(H,14,17)
InChIKeyFMRJAJJXZHGQGP-UHFFFAOYSA-N
XLogP2.26
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-ethylbutyl)-2,6-dihydroxybenzamide
CID 107691145
N-(2-ethylbutyl)-2,6-dimethylbenzamide
CID 103714285
N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613562
N-(2-aminopentyl)-2,6-dihydroxybenzamide
CID 107691454
(3S)-3-[[(2,6-dihydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 107688084
2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 113346830
N-(2-ethylbutyl)-2-hydroxy-3-methoxybenzamide
CID 115613558
3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 81066303
N-(4-chloro-2-ethylbutyl)-2,3-dihydroxybenzamide
CID 114345290
N-(2-ethylbutyl)-6-methylpyridine-2-carboxamide
CID 115612957
2,6-dihydroxy-N-(2-oxopropyl)benzamide
CID 107688759
N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide
CID 106117986

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(2-ethylbutyl)-2,6-dihydroxybenzamide (CID 103890450) is N-(2-ethylbutyl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(2-ethylbutyl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(2-ethylbutyl)-2,6-dihydroxybenzamide is CCC(CC)CNC(=O)c1c(O)cccc1O.
What is the InChIKey of N-(2-ethylbutyl)-2,6-dihydroxybenzamide?
The InChIKey is FMRJAJJXZHGQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-9(4-2)8-14-13(17)12-10(15)6-5-7-11(12)16/h5-7,9,15-16H,3-4,8H2,1-2H3,(H,14,17).
What are the key properties of N-(2-ethylbutyl)-2,6-dihydroxybenzamide?
N-(2-ethylbutyl)-2,6-dihydroxybenzamide has a molecular weight of 237.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 103890450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).