4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide

C14H19NO3 — CID 113341747

IUPAC4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide
SMILESCc1cc(O)ccc1C(=O)NC1(C)CCOCC1
InChIInChI=1S/C14H19NO3/c1-10-9-11(16)3-4-12(10)13(17)15-14(2)5-7-18-8-6-14/h3-4,9,16H,5-8H2,1-2H3,(H,15,17)
InChIKeyZBJVPRUNIMVAKK-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.00
Rot. Bonds2

About 4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide

4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide (PubChem CID 113341747) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide
PubChem CID113341747
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide
SMILESCc1cc(O)ccc1C(=O)NC1(C)CCOCC1
InChIInChI=1S/C14H19NO3/c1-10-9-11(16)3-4-12(10)13(17)15-14(2)5-7-18-8-6-14/h3-4,9,16H,5-8H2,1-2H3,(H,15,17)
InChIKeyZBJVPRUNIMVAKK-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 104929999
4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 115761034
2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 113324402
2-chloro-5-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 106502165
2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide
CID 103525818
2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide
CID 113322134
N-(1-adamantyl)-4-hydroxy-2-methylbenzamide
CID 103863609
4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide
CID 114113473
N-(4-methyloxan-4-yl)-4-sulfanylbenzamide
CID 107035610
5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide
CID 115759553
4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide
CID 114696498
4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide
CID 113491311

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide (CID 113341747) is 4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide is Cc1cc(O)ccc1C(=O)NC1(C)CCOCC1.
What is the InChIKey of 4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide?
The InChIKey is ZBJVPRUNIMVAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-9-11(16)3-4-12(10)13(17)15-14(2)5-7-18-8-6-14/h3-4,9,16H,5-8H2,1-2H3,(H,15,17).
What are the key properties of 4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide?
4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide is sourced from PubChem (CID 113341747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).