2,4-dihydroxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide

C14H19NO3 — CID 103727932

IUPAC2,4-dihydroxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
SMILESCC1(C)C(NC(=O)c2ccc(O)cc2O)C1(C)C
InChIInChI=1S/C14H19NO3/c1-13(2)12(14(13,3)4)15-11(18)9-6-5-8(16)7-10(9)17/h5-7,12,16-17H,1-4H3,(H,15,18)
InChIKeyAYMJCGITQKDIDU-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.26
Rot. Bonds2

About 2,4-dihydroxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide

2,4-dihydroxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide (PubChem CID 103727932) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
PubChem CID103727932
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2,4-dihydroxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
SMILESCC1(C)C(NC(=O)c2ccc(O)cc2O)C1(C)C
InChIInChI=1S/C14H19NO3/c1-13(2)12(14(13,3)4)15-11(18)9-6-5-8(16)7-10(9)17/h5-7,12,16-17H,1-4H3,(H,15,18)
InChIKeyAYMJCGITQKDIDU-UHFFFAOYSA-N
XLogP2.26
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79351166
N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide
CID 107725924
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide
CID 79711256
2,4-dihydroxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 107721876
2,4-dihydroxy-N-(2-methylcycloheptyl)benzamide
CID 103714355
2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide
CID 107722193
2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 62366802
2,4-dihydroxy-N-(3-methylcyclohexyl)benzamide
CID 103612467
N-(2-aminocyclopentyl)-2,4-dihydroxybenzamide
CID 63251225
2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 114027695
2-hydrazinyl-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79357089
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,4-dihydroxybenzamide
CID 107726347

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide (CID 103727932) is 2,4-dihydroxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide is CC1(C)C(NC(=O)c2ccc(O)cc2O)C1(C)C.
What is the InChIKey of 2,4-dihydroxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The InChIKey is AYMJCGITQKDIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-13(2)12(14(13,3)4)15-11(18)9-6-5-8(16)7-10(9)17/h5-7,12,16-17H,1-4H3,(H,15,18).
What are the key properties of 2,4-dihydroxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
2,4-dihydroxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(2,2,3,3-tetramethylcyclopropyl)benzamide is sourced from PubChem (CID 103727932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).