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

C13H20N2O3 — CID 106249207

IUPAC2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
SMILESCOCCC(C)(O)CNC(=O)c1ccccc1N
InChIInChI=1S/C13H20N2O3/c1-13(17,7-8-18-2)9-15-12(16)10-5-3-4-6-11(10)14/h3-6,17H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyBVMOBPOUAMFEOG-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.79
Rot. Bonds6

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

2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide (PubChem CID 106249207) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
PubChem CID106249207
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
SMILESCOCCC(C)(O)CNC(=O)c1ccccc1N
InChIInChI=1S/C13H20N2O3/c1-13(17,7-8-18-2)9-15-12(16)10-5-3-4-6-11(10)14/h3-6,17H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyBVMOBPOUAMFEOG-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

N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide
CID 103712714
2-ethoxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712220
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
3-[(2-aminobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174920
4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249241
2-(cyanomethylsulfanyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712529
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide
CID 103712693
2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide
CID 113364210
phenyl N-(2-hydroxy-4-methoxy-2-methylbutyl)carbamate
CID 103712783
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylacetamide
CID 106254706
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
2-amino-N-(2-hydroxy-2-methylpentyl)-5-methoxybenzamide
CID 106289273

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
The IUPAC name of 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide (CID 106249207) is 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide is COCCC(C)(O)CNC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
The InChIKey is BVMOBPOUAMFEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(17,7-8-18-2)9-15-12(16)10-5-3-4-6-11(10)14/h3-6,17H,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
2-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 2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide is sourced from PubChem (CID 106249207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).