N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide

C16H17NO3 — CID 113199272

IUPACN-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C16H17NO3/c1-3-11-6-4-5-10(2)15(11)17-16(20)12-7-8-13(18)14(19)9-12/h4-9,18-19H,3H2,1-2H3,(H,17,20)
InChIKeySWZFLTZBUVVJDX-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.22
Rot. Bonds3

About N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide

N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide (PubChem CID 113199272) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide
PubChem CID113199272
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C16H17NO3/c1-3-11-6-4-5-10(2)15(11)17-16(20)12-7-8-13(18)14(19)9-12/h4-9,18-19H,3H2,1-2H3,(H,17,20)
InChIKeySWZFLTZBUVVJDX-UHFFFAOYSA-N
XLogP3.22
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide
CID 103956619
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 4936095
N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide
CID 4936097
N-(2-ethyl-6-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209862
N-(2-ethyl-6-methylphenyl)-3-sulfanylbenzamide
CID 107019745
N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
CID 107019746
3-amino-4-bromo-N-(2-ethyl-6-methylphenyl)benzamide
CID 61090453
4-amino-N-(2,6-diethylphenyl)-3-hydroxybenzamide
CID 107073824
3-carbamothioyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 24697035
N-(2-ethyl-6-methylphenyl)-1H-indole-6-carboxamide
CID 60773719
N-(2-ethyl-6-methylphenyl)-3-methyl-4-nitrobenzamide
CID 924495

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide (CID 113199272) is N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide is CCc1cccc(C)c1NC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide?
The InChIKey is SWZFLTZBUVVJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-11-6-4-5-10(2)15(11)17-16(20)12-7-8-13(18)14(19)9-12/h4-9,18-19H,3H2,1-2H3,(H,17,20).
What are the key properties of N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide?
N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide has a molecular weight of 271.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide is sourced from PubChem (CID 113199272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).