N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide

C15H21NO3 — CID 103867319

IUPACN-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C15H21NO3/c1-10-8-12(17)4-5-13(10)14(18)16-11-6-7-19-15(2,3)9-11/h4-5,8,11,17H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyTZDMXJDXZMRCKL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.39
Rot. Bonds2

About N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide

N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide (PubChem CID 103867319) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide
PubChem CID103867319
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C15H21NO3/c1-10-8-12(17)4-5-13(10)14(18)16-11-6-7-19-15(2,3)9-11/h4-5,8,11,17H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyTZDMXJDXZMRCKL-UHFFFAOYSA-N
XLogP2.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide
CID 107075856
N-cyclobutyl-4-hydroxy-2-methylbenzamide
CID 103865467
3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide
CID 83027416
N-(2,2-dimethyloxan-4-yl)-2-hydroxy-5-nitrobenzamide
CID 102553904
4-hydroxy-2-methyl-N-piperidin-4-ylbenzamide
CID 107671351
5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide
CID 167929645
1-(5-acetyl-2-methylphenyl)-3-(2,2-dimethyloxan-4-yl)urea
CID 143698513
2-chloro-N-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-5-nitrobenzamide
CID 125144663
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide
CID 83039025
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
N-(2,2-dimethyloxan-4-yl)-3-hydroxy-4-nitrobenzamide
CID 103846992
N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide
CID 129345943

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide (CID 103867319) is N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NC1CCOC(C)(C)C1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide?
The InChIKey is TZDMXJDXZMRCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-8-12(17)4-5-13(10)14(18)16-11-6-7-19-15(2,3)9-11/h4-5,8,11,17H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide?
N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 103867319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).