2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide

C14H20N2O3 — CID 107075856

IUPAC2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide
SMILESCC1(C)CC(NC(=O)c2cc(O)ccc2N)CCO1
InChIInChI=1S/C14H20N2O3/c1-14(2)8-9(5-6-19-14)16-13(18)11-7-10(17)3-4-12(11)15/h3-4,7,9,17H,5-6,8,15H2,1-2H3,(H,16,18)
InChIKeyRFLFFWUOQDKGES-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.66
Rot. Bonds2

About 2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide

2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide (PubChem CID 107075856) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide
PubChem CID107075856
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide
SMILESCC1(C)CC(NC(=O)c2cc(O)ccc2N)CCO1
InChIInChI=1S/C14H20N2O3/c1-14(2)8-9(5-6-19-14)16-13(18)11-7-10(17)3-4-12(11)15/h3-4,7,9,17H,5-6,8,15H2,1-2H3,(H,16,18)
InChIKeyRFLFFWUOQDKGES-UHFFFAOYSA-N
XLogP1.66
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide
CID 103867319
3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide
CID 83027416
2-amino-5-hydroxy-N-(3-methylcyclobutyl)benzamide
CID 107076024
N-(2,2-dimethyloxan-4-yl)-2-hydroxy-5-nitrobenzamide
CID 102553904
3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide
CID 83027170
2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide
CID 107075822
2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide
CID 83033529
4-amino-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-carboxamide
CID 83027249
N-(2,2-dimethyloxan-4-yl)-3-hydroxy-4-nitrobenzamide
CID 103846992
3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
CID 113336639
N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
CID 115563926
5-bromo-N-(2,2-dimethyloxan-4-yl)-3-methylfuran-2-carboxamide
CID 167929645

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide (CID 107075856) is 2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide is CC1(C)CC(NC(=O)c2cc(O)ccc2N)CCO1.
What is the InChIKey of 2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide?
The InChIKey is RFLFFWUOQDKGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2)8-9(5-6-19-14)16-13(18)11-7-10(17)3-4-12(11)15/h3-4,7,9,17H,5-6,8,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide?
2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide has a molecular weight of 264.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide is sourced from PubChem (CID 107075856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).