N,N-diethyl-4-hydroxy-2-methylbenzamide

C12H17NO2 — CID 103863610

IUPACN,N-diethyl-4-hydroxy-2-methylbenzamide
SMILESCCN(CC)C(=O)c1ccc(O)cc1C
InChIInChI=1S/C12H17NO2/c1-4-13(5-2)12(15)11-7-6-10(14)8-9(11)3/h6-8,14H,4-5H2,1-3H3
InChIKeyZYMXOEIILFNKKC-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.18
Rot. Bonds3

About N,N-diethyl-4-hydroxy-2-methylbenzamide

N,N-diethyl-4-hydroxy-2-methylbenzamide (PubChem CID 103863610) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N,N-diethyl-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-4-hydroxy-2-methylbenzamide
PubChem CID103863610
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN,N-diethyl-4-hydroxy-2-methylbenzamide
SMILESCCN(CC)C(=O)c1ccc(O)cc1C
InChIInChI=1S/C12H17NO2/c1-4-13(5-2)12(15)11-7-6-10(14)8-9(11)3/h6-8,14H,4-5H2,1-3H3
InChIKeyZYMXOEIILFNKKC-UHFFFAOYSA-N
XLogP2.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 103865180
N-(cyanomethyl)-4-hydroxy-2-methyl-N-propylbenzamide
CID 113341373
N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107735686
N-cyclopentyl-N-ethyl-4-hydroxy-2-methylbenzamide
CID 113341129
N-(cyanomethyl)-4-hydroxy-2-methyl-N-prop-2-ynylbenzamide
CID 114208835
ethyl 2-[(4-hydroxy-2-methylbenzoyl)-(2-methoxyethyl)amino]acetate
CID 103863690
ethyl 2-[(4-hydroxy-2-methylbenzoyl)-prop-2-enylamino]acetate
CID 103874553
N-(4-aminocyclohexyl)-N-ethyl-4-hydroxy-2-methylbenzamide
CID 107672163
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide
CID 107670497
N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide
CID 80661347
N,N-diethyl-5-hydroxy-2-nitrobenzamide
CID 102740327

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-hydroxy-2-methylbenzamide?
The IUPAC name of N,N-diethyl-4-hydroxy-2-methylbenzamide (CID 103863610) is N,N-diethyl-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N,N-diethyl-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N,N-diethyl-4-hydroxy-2-methylbenzamide is CCN(CC)C(=O)c1ccc(O)cc1C.
What is the InChIKey of N,N-diethyl-4-hydroxy-2-methylbenzamide?
The InChIKey is ZYMXOEIILFNKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-13(5-2)12(15)11-7-6-10(14)8-9(11)3/h6-8,14H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-4-hydroxy-2-methylbenzamide?
N,N-diethyl-4-hydroxy-2-methylbenzamide has a molecular weight of 207.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 103863610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).