2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide

C14H21NO3 — CID 113346830

IUPAC2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide
SMILESCC(CNC(=O)c1c(O)cccc1O)C(C)(C)C
InChIInChI=1S/C14H21NO3/c1-9(14(2,3)4)8-15-13(18)12-10(16)6-5-7-11(12)17/h5-7,9,16-17H,8H2,1-4H3,(H,15,18)
InChIKeyDHMQDKKSRNVQGL-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.51
Rot. Bonds3

About 2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide

2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide (PubChem CID 113346830) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide
PubChem CID113346830
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide
SMILESCC(CNC(=O)c1c(O)cccc1O)C(C)(C)C
InChIInChI=1S/C14H21NO3/c1-9(14(2,3)4)8-15-13(18)12-10(16)6-5-7-11(12)17/h5-7,9,16-17H,8H2,1-4H3,(H,15,18)
InChIKeyDHMQDKKSRNVQGL-UHFFFAOYSA-N
XLogP2.51
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 104917625
3,6-dimethyl-2-(2,3,3-trimethylbutylcarbamoyl)benzoic acid
CID 103429237
N-(2-ethylbutyl)-2,6-dihydroxybenzamide
CID 103890450
2-fluoro-6-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107015409
3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 83142819
4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 103873277
2,6-dihydroxy-N-(3-hydroxybutyl)benzamide
CID 103890654
2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107690240
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
N-(2-aminopentyl)-2,6-dihydroxybenzamide
CID 107691454
(3S)-3-[[(2,6-dihydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 107688084
methyl 2-[(2,6-dihydroxybenzoyl)amino]acetate
CID 103890198

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide?
The IUPAC name of 2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide (CID 113346830) is 2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide?
The canonical SMILES for 2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide is CC(CNC(=O)c1c(O)cccc1O)C(C)(C)C.
What is the InChIKey of 2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide?
The InChIKey is DHMQDKKSRNVQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9(14(2,3)4)8-15-13(18)12-10(16)6-5-7-11(12)17/h5-7,9,16-17H,8H2,1-4H3,(H,15,18).
What are the key properties of 2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide?
2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide has a molecular weight of 251.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-(2,3,3-trimethylbutyl)benzamide is sourced from PubChem (CID 113346830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).