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

C13H20N2O3 — CID 106249245

IUPAC3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
SMILESCOCCC(C)(O)CNC(=O)c1cccc(N)c1
InChIInChI=1S/C13H20N2O3/c1-13(17,6-7-18-2)9-15-12(16)10-4-3-5-11(14)8-10/h3-5,8,17H,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyZQIACKMMXBDFEM-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.79
Rot. Bonds6

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

3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide (PubChem CID 106249245) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
PubChem CID106249245
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
SMILESCOCCC(C)(O)CNC(=O)c1cccc(N)c1
InChIInChI=1S/C13H20N2O3/c1-13(17,6-7-18-2)9-15-12(16)10-4-3-5-11(14)8-10/h3-5,8,17H,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyZQIACKMMXBDFEM-UHFFFAOYSA-N
XLogP0.79
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.79
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-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249241
3-amino-N-(2-methoxy-2-methylpropyl)benzamide
CID 115739688
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(methylsulfanylmethyl)benzamide
CID 103712720
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide
CID 103712743
(E)-3-(3-aminophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)prop-2-enamide
CID 106254784
3,4-dihydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103957337
N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide
CID 103712673
3-[(3-aminobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427957
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249207
3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide
CID 103712284
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
The IUPAC name of 3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide (CID 106249245) is 3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide is COCCC(C)(O)CNC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
The InChIKey is ZQIACKMMXBDFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(17,6-7-18-2)9-15-12(16)10-4-3-5-11(14)8-10/h3-5,8,17H,6-7,9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide has a molecular weight of 252.31 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide is sourced from PubChem (CID 106249245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).