2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide

C12H16N2O3 — CID 107075822

IUPAC2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1NC(=O)c1cc(O)ccc1N
InChIInChI=1S/C12H16N2O3/c1-7-11(4-5-17-7)14-12(16)9-6-8(15)2-3-10(9)13/h2-3,6-7,11,15H,4-5,13H2,1H3,(H,14,16)
InChIKeyCRAVYFAIOKGVJE-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.88
Rot. Bonds2

About 2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide

2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 107075822) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide
PubChem CID107075822
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1NC(=O)c1cc(O)ccc1N
InChIInChI=1S/C12H16N2O3/c1-7-11(4-5-17-7)14-12(16)9-6-8(15)2-3-10(9)13/h2-3,6-7,11,15H,4-5,13H2,1H3,(H,14,16)
InChIKeyCRAVYFAIOKGVJE-UHFFFAOYSA-N
XLogP0.88
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.88
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'}

Analyze 2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-hydroxy-N-(2-methylcyclopentyl)benzamide
CID 107075272
4-amino-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82737450
2-amino-4-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82727863
3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 114011379
4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726426
4-amino-6-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82736650
5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride
CID 120648019
5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82726014
2-amino-5-hydroxy-N-(3-methylcyclobutyl)benzamide
CID 107076024
2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide
CID 103883477
3-hydroxy-N-(2-methyloxolan-3-yl)naphthalene-2-carboxamide
CID 82728809
2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide
CID 107075856

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide (CID 107075822) is 2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide is CC1OCCC1NC(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is CRAVYFAIOKGVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7-11(4-5-17-7)14-12(16)9-6-8(15)2-3-10(9)13/h2-3,6-7,11,15H,4-5,13H2,1H3,(H,14,16).
What are the key properties of 2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide?
2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 236.27 g/mol, XLogP of 0.88, 2 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-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 107075822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).