2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide

C13H20N2O3 — CID 107075408

IUPAC2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide
SMILESCCCC(COC)NC(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H20N2O3/c1-3-4-9(8-18-2)15-13(17)11-7-10(16)5-6-12(11)14/h5-7,9,16H,3-4,8,14H2,1-2H3,(H,15,17)
InChIKeyVICGLBXENVXDRC-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.52
Rot. Bonds6

About 2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide

2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide (PubChem CID 107075408) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide
PubChem CID107075408
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide
SMILESCCCC(COC)NC(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H20N2O3/c1-3-4-9(8-18-2)15-13(17)11-7-10(16)5-6-12(11)14/h5-7,9,16H,3-4,8,14H2,1-2H3,(H,15,17)
InChIKeyVICGLBXENVXDRC-UHFFFAOYSA-N
XLogP1.52
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.52
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

2-amino-4-methoxy-N-(1-methoxypentan-2-yl)benzamide
CID 115413334
2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 114150801
2-chloro-5-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106153598
3-amino-N-(1-methoxypentan-2-yl)-2-nitrobenzamide
CID 115549148
2-amino-5-chloro-N-(1-methoxypentan-2-yl)pyridine-4-carboxamide
CID 114923757
2-amino-5-methyl-N-octan-4-ylbenzamide
CID 106021787
3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide
CID 113402978
4-fluoro-2-iodo-N-(1-methoxypentan-2-yl)benzamide
CID 114029293
2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide
CID 62094732
2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide
CID 106223358
2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide
CID 102739283
4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65359812

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide (CID 107075408) is 2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide is CCCC(COC)NC(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide?
The InChIKey is VICGLBXENVXDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-4-9(8-18-2)15-13(17)11-7-10(16)5-6-12(11)14/h5-7,9,16H,3-4,8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide?
2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide has a molecular weight of 252.31 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-(1-methoxypentan-2-yl)benzamide is sourced from PubChem (CID 107075408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).