N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide

C18H21NO2 — CID 103956619

IUPACN-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C18H21NO2/c1-4-13-7-6-8-14(5-2)17(13)19-18(21)15-9-10-16(20)12(3)11-15/h6-11,20H,4-5H2,1-3H3,(H,19,21)
InChIKeySMCNXFGZYHQAJI-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.08
Rot. Bonds4

About N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide

N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide (PubChem CID 103956619) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide
PubChem CID103956619
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C18H21NO2/c1-4-13-7-6-8-14(5-2)17(13)19-18(21)15-9-10-16(20)12(3)11-15/h6-11,20H,4-5H2,1-3H3,(H,19,21)
InChIKeySMCNXFGZYHQAJI-UHFFFAOYSA-N
XLogP4.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide
CID 113199272
4-amino-N-(2,6-diethylphenyl)-3-hydroxybenzamide
CID 107073824
N-(2,6-dibromophenyl)-4-hydroxy-3-methylbenzamide
CID 107676885
N-(2,6-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956615
N-(2-ethyl-6-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209862
4-hydroxy-3-methyl-N-(2-propylphenyl)benzamide
CID 103956497
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-nitrobenzamide
CID 924495
N-(2,6-diethylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600773
N-(2-ethyl-6-methylphenyl)-3-sulfanylbenzamide
CID 107019745
N-(3-acetylphenyl)-4-hydroxy-3-methylbenzamide
CID 103955356

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide (CID 103956619) is N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide is CCc1cccc(CC)c1NC(=O)c1ccc(O)c(C)c1.
What is the InChIKey of N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide?
The InChIKey is SMCNXFGZYHQAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-13-7-6-8-14(5-2)17(13)19-18(21)15-9-10-16(20)12(3)11-15/h6-11,20H,4-5H2,1-3H3,(H,19,21).
What are the key properties of N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide?
N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide has a molecular weight of 283.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 103956619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).