2-(methylamino)-N-(3,4,5-trihydroxyoxan-2-yl)oxybenzamide

C13H18N2O6 — CID 145030710

IUPAC2-(methylamino)-N-(3,4,5-trihydroxyoxan-2-yl)oxybenzamide
SMILESCNc1ccccc1C(=O)NOC1OCC(O)C(O)C1O
InChIInChI=1S/C13H18N2O6/c1-14-8-5-3-2-4-7(8)12(19)15-21-13-11(18)10(17)9(16)6-20-13/h2-5,9-11,13-14,16-18H,6H2,1H3,(H,15,19)
InChIKeyPZPABAOFWGRODC-UHFFFAOYSA-N
MW298.30 g/mol
LogP-1.17
Rot. Bonds4

About 2-(methylamino)-N-(3,4,5-trihydroxyoxan-2-yl)oxybenzamide

2-(methylamino)-N-(3,4,5-trihydroxyoxan-2-yl)oxybenzamide (PubChem CID 145030710) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-(methylamino)-N-(3,4,5-trihydroxyoxan-2-yl)oxybenzamide.

Molecular Properties

Compound Name2-(methylamino)-N-(3,4,5-trihydroxyoxan-2-yl)oxybenzamide
PubChem CID145030710
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Name2-(methylamino)-N-(3,4,5-trihydroxyoxan-2-yl)oxybenzamide
SMILESCNc1ccccc1C(=O)NOC1OCC(O)C(O)C1O
InChIInChI=1S/C13H18N2O6/c1-14-8-5-3-2-4-7(8)12(19)15-21-13-11(18)10(17)9(16)6-20-13/h2-5,9-11,13-14,16-18H,6H2,1H3,(H,15,19)
InChIKeyPZPABAOFWGRODC-UHFFFAOYSA-N
XLogP-1.17
TPSA120.28 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-1.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(methylamino)-N-(3,4,5-trihydroxyoxan-2-yl)oxybenzamide 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

N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide
CID 142264713
(2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol
CID 99641703
(2R,3S,4R,5R)-2-anilinooxyoxane-3,4,5-triol
CID 71620516
(3,4,5-trihydroxy-6-methyloxan-2-yl) 2-(methylamino)benzoate
CID 23874506
[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] 2-(methylamino)benzoate
CID 51693364
N-(2,3-dimethyloxolan-3-yl)-2-(methylamino)benzamide
CID 114096557
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
2-[[2-(methylamino)benzoyl]amino]benzoic acid
CID 12819847
N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide
CID 81399463
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide
CID 107390214
phosphanyl 2-(methylamino)benzoate
CID 174258583
cyclobutyl 2-(methylamino)benzoate
CID 62217404

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(3,4,5-trihydroxyoxan-2-yl)oxybenzamide?
The IUPAC name of 2-(methylamino)-N-(3,4,5-trihydroxyoxan-2-yl)oxybenzamide (CID 145030710) is 2-(methylamino)-N-(3,4,5-trihydroxyoxan-2-yl)oxybenzamide.
What is the SMILES notation for 2-(methylamino)-N-(3,4,5-trihydroxyoxan-2-yl)oxybenzamide?
The canonical SMILES for 2-(methylamino)-N-(3,4,5-trihydroxyoxan-2-yl)oxybenzamide is CNc1ccccc1C(=O)NOC1OCC(O)C(O)C1O.
What is the InChIKey of 2-(methylamino)-N-(3,4,5-trihydroxyoxan-2-yl)oxybenzamide?
The InChIKey is PZPABAOFWGRODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6/c1-14-8-5-3-2-4-7(8)12(19)15-21-13-11(18)10(17)9(16)6-20-13/h2-5,9-11,13-14,16-18H,6H2,1H3,(H,15,19).
What are the key properties of 2-(methylamino)-N-(3,4,5-trihydroxyoxan-2-yl)oxybenzamide?
2-(methylamino)-N-(3,4,5-trihydroxyoxan-2-yl)oxybenzamide has a molecular weight of 298.30 g/mol, XLogP of -1.17, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(3,4,5-trihydroxyoxan-2-yl)oxybenzamide is sourced from PubChem (CID 145030710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).