4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide

C13H20N2O4 — CID 106249241

IUPAC4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
SMILESCOCCC(C)(O)CNC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H20N2O4/c1-13(18,5-6-19-2)8-15-12(17)9-3-4-10(14)11(16)7-9/h3-4,7,16,18H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyVPWRFXIMVLZWHL-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.49
Rot. Bonds6

About 4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide

4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide (PubChem CID 106249241) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
PubChem CID106249241
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
SMILESCOCCC(C)(O)CNC(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H20N2O4/c1-13(18,5-6-19-2)8-15-12(17)9-3-4-10(14)11(16)7-9/h3-4,7,16,18H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyVPWRFXIMVLZWHL-UHFFFAOYSA-N
XLogP0.49
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103957337
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide
CID 103712284
N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide
CID 103712673
3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide
CID 103712520
N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide
CID 103712392
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide
CID 103712743
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 106254086
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249207
4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 104783009
tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate
CID 102739374

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
The IUPAC name of 4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide (CID 106249241) is 4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
The canonical SMILES for 4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide is COCCC(C)(O)CNC(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
The InChIKey is VPWRFXIMVLZWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-13(18,5-6-19-2)8-15-12(17)9-3-4-10(14)11(16)7-9/h3-4,7,16,18H,5-6,8,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide has a molecular weight of 268.31 g/mol, XLogP of 0.49, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide is sourced from PubChem (CID 106249241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).