3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide

C13H18N2O3 — CID 113386399

IUPAC3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1cccc(N)c1O)C1CCOCC1
InChIInChI=1S/C13H18N2O3/c1-15(9-5-7-18-8-6-9)13(17)10-3-2-4-11(14)12(10)16/h2-4,9,16H,5-8,14H2,1H3
InChIKeyLSTSFFWINCYSJV-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.23
Rot. Bonds2

About 3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide

3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide (PubChem CID 113386399) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide
PubChem CID113386399
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1cccc(N)c1O)C1CCOCC1
InChIInChI=1S/C13H18N2O3/c1-15(9-5-7-18-8-6-9)13(17)10-3-2-4-11(14)12(10)16/h2-4,9,16H,5-8,14H2,1H3
InChIKeyLSTSFFWINCYSJV-UHFFFAOYSA-N
XLogP1.23
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.23
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'}

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Related Compounds

2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601
3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide
CID 58736495
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
CID 61102317
3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
CID 70099626
2-amino-N-cyclobutyl-N-methylbenzamide
CID 115747527
2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide
CID 99716959
5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 62814554
N-methyl-2-[2-(methylamino)ethyl]-N-(oxan-4-yl)benzamide
CID 104547501
2-amino-N-cyclopropyl-N,3-dimethylbenzamide
CID 43264479
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide
CID 113386511
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide?
The IUPAC name of 3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide (CID 113386399) is 3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide?
The canonical SMILES for 3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide is CN(C(=O)c1cccc(N)c1O)C1CCOCC1.
What is the InChIKey of 3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide?
The InChIKey is LSTSFFWINCYSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(9-5-7-18-8-6-9)13(17)10-3-2-4-11(14)12(10)16/h2-4,9,16H,5-8,14H2,1H3.
What are the key properties of 3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide?
3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide has a molecular weight of 250.30 g/mol, XLogP of 1.23, 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-methyl-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 113386399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).