2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide

C11H16N2O4 — CID 81420269

IUPAC2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NCC(O)CO
InChIInChI=1S/C11H16N2O4/c1-17-9-4-2-3-8(12)10(9)11(16)13-5-7(15)6-14/h2-4,7,14-15H,5-6,12H2,1H3,(H,13,16)
InChIKeySOQLOBVWAOMVEN-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.64
Rot. Bonds5

About 2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide

2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide (PubChem CID 81420269) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide
PubChem CID81420269
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NCC(O)CO
InChIInChI=1S/C11H16N2O4/c1-17-9-4-2-3-8(12)10(9)11(16)13-5-7(15)6-14/h2-4,7,14-15H,5-6,12H2,1H3,(H,13,16)
InChIKeySOQLOBVWAOMVEN-UHFFFAOYSA-N
XLogP-0.64
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-hydroxybutyl)-6-methoxybenzamide
CID 81420949
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide
CID 103819903
N-(2-hydroxypentyl)-2,6-dimethoxybenzamide
CID 115744628
2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
CID 81420128
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide
CID 114154654
2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide
CID 81420537
2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide
CID 81420758
2-amino-6-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 81421054
2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide
CID 107150571
2-amino-6-methoxy-N-pentan-2-ylbenzamide
CID 81409671

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide?
The IUPAC name of 2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide (CID 81420269) is 2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide?
The canonical SMILES for 2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide is COc1cccc(N)c1C(=O)NCC(O)CO.
What is the InChIKey of 2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide?
The InChIKey is SOQLOBVWAOMVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-17-9-4-2-3-8(12)10(9)11(16)13-5-7(15)6-14/h2-4,7,14-15H,5-6,12H2,1H3,(H,13,16).
What are the key properties of 2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide?
2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide has a molecular weight of 240.26 g/mol, XLogP of -0.64, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide is sourced from PubChem (CID 81420269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).