3-amino-2-hydroxy-N-methoxy-N-methylbenzamide

C9H12N2O3 — CID 58735961

IUPAC3-amino-2-hydroxy-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1cccc(N)c1O
InChIInChI=1S/C9H12N2O3/c1-11(14-2)9(13)6-4-3-5-7(10)8(6)12/h3-5,12H,10H2,1-2H3
InChIKeyYROZXZOUSSOHRX-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.61
Rot. Bonds2

About 3-amino-2-hydroxy-N-methoxy-N-methylbenzamide

3-amino-2-hydroxy-N-methoxy-N-methylbenzamide (PubChem CID 58735961) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-methoxy-N-methylbenzamide
PubChem CID58735961
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-amino-2-hydroxy-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1cccc(N)c1O
InChIInChI=1S/C9H12N2O3/c1-11(14-2)9(13)6-4-3-5-7(10)8(6)12/h3-5,12H,10H2,1-2H3
InChIKeyYROZXZOUSSOHRX-UHFFFAOYSA-N
XLogP0.61
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-N-methoxy-N-methylbenzamide
CID 114344880
ethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide
CID 142000932
2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide
CID 158439697
3-amino-N-cyclohexyl-2-hydroxy-N-methoxybenzamide
CID 89098947
3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide
CID 58736495
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
2-(aminomethyl)-N-methoxy-N-methylbenzamide
CID 82505220
1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide
CID 71406304
3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 113386399
3-amino-2-hydroxy-N-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 114236445
2-amino-4-fluoro-N-methoxy-N-methylbenzamide
CID 63110530
ethyl 3-amino-2-hydroxybenzoate;hydrochloride
CID 117046540

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-methoxy-N-methylbenzamide?
The IUPAC name of 3-amino-2-hydroxy-N-methoxy-N-methylbenzamide (CID 58735961) is 3-amino-2-hydroxy-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-methoxy-N-methylbenzamide?
The canonical SMILES for 3-amino-2-hydroxy-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1cccc(N)c1O.
What is the InChIKey of 3-amino-2-hydroxy-N-methoxy-N-methylbenzamide?
The InChIKey is YROZXZOUSSOHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11(14-2)9(13)6-4-3-5-7(10)8(6)12/h3-5,12H,10H2,1-2H3.
What are the key properties of 3-amino-2-hydroxy-N-methoxy-N-methylbenzamide?
3-amino-2-hydroxy-N-methoxy-N-methylbenzamide has a molecular weight of 196.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 58735961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).