4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide

C13H20N2O3 — CID 104783009

IUPAC4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
SMILESCCC(C)(O)CNC(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C13H20N2O3/c1-4-13(2,17)8-15-12(16)9-5-6-10(14)11(7-9)18-3/h5-7,17H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyYCILJNVAYJNLRT-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.17
Rot. Bonds5

About 4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide

4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide (PubChem CID 104783009) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
PubChem CID104783009
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
SMILESCCC(C)(O)CNC(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C13H20N2O3/c1-4-13(2,17)8-15-12(16)9-5-6-10(14)11(7-9)18-3/h5-7,17H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyYCILJNVAYJNLRT-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

4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide
CID 103459930
4-amino-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 104783008
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide
CID 104783057
4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 81003078
3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65103916
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide
CID 106139342
2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide
CID 81420537
methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107211629
methyl 3-[(4-amino-3-methoxybenzoyl)amino]propanoate
CID 104782478
4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865
4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249241

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide (CID 104783009) is 4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide is CCC(C)(O)CNC(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of 4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide?
The InChIKey is YCILJNVAYJNLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-13(2,17)8-15-12(16)9-5-6-10(14)11(7-9)18-3/h5-7,17H,4,8,14H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide?
4-amino-N-(2-hydroxy-2-methylbutyl)-3-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 4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide is sourced from PubChem (CID 104783009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).