2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide

C13H20N2O3 — CID 81420537

IUPAC2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide
SMILESCCC(C)(O)CNC(=O)c1c(N)cccc1OC
InChIInChI=1S/C13H20N2O3/c1-4-13(2,17)8-15-12(16)11-9(14)6-5-7-10(11)18-3/h5-7,17H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyHAJOZBSOZUYLAN-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.17
Rot. Bonds5

About 2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide

2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide (PubChem CID 81420537) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide
PubChem CID81420537
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide
SMILESCCC(C)(O)CNC(=O)c1c(N)cccc1OC
InChIInChI=1S/C13H20N2O3/c1-4-13(2,17)8-15-12(16)11-9(14)6-5-7-10(11)18-3/h5-7,17H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyHAJOZBSOZUYLAN-UHFFFAOYSA-N
XLogP1.17
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide
CID 66171373
4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 104783009
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide
CID 103841084
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide
CID 114154654
3-amino-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide
CID 104742439
2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide
CID 81420269
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(2-methoxyphenyl)urea
CID 94813267
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
2-amino-N-(3-hydroxybutyl)-6-methoxybenzamide
CID 81420949
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide?
The IUPAC name of 2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide (CID 81420537) is 2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide is CCC(C)(O)CNC(=O)c1c(N)cccc1OC.
What is the InChIKey of 2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide?
The InChIKey is HAJOZBSOZUYLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-13(2,17)8-15-12(16)11-9(14)6-5-7-10(11)18-3/h5-7,17H,4,8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide?
2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide is sourced from PubChem (CID 81420537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).