2-amino-3-(3,3-dimethylbutoxy)benzamide

C13H20N2O2 — CID 115547344

IUPAC2-amino-3-(3,3-dimethylbutoxy)benzamide
SMILESCC(C)(C)CCOc1cccc(C(N)=O)c1N
InChIInChI=1S/C13H20N2O2/c1-13(2,3)7-8-17-10-6-4-5-9(11(10)14)12(15)16/h4-6H,7-8,14H2,1-3H3,(H2,15,16)
InChIKeyGBZHLUMTSVGDRQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.18
Rot. Bonds4

About 2-amino-3-(3,3-dimethylbutoxy)benzamide

2-amino-3-(3,3-dimethylbutoxy)benzamide (PubChem CID 115547344) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-3-(3,3-dimethylbutoxy)benzamide.

Molecular Properties

Compound Name2-amino-3-(3,3-dimethylbutoxy)benzamide
PubChem CID115547344
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-3-(3,3-dimethylbutoxy)benzamide
SMILESCC(C)(C)CCOc1cccc(C(N)=O)c1N
InChIInChI=1S/C13H20N2O2/c1-13(2,3)7-8-17-10-6-4-5-9(11(10)14)12(15)16/h4-6H,7-8,14H2,1-3H3,(H2,15,16)
InChIKeyGBZHLUMTSVGDRQ-UHFFFAOYSA-N
XLogP2.18
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(3,3-dimethylbutoxy)benzoic acid
CID 115547343
2-amino-3-(4,4,4-trifluorobutoxy)benzamide
CID 82787642
2-amino-3-ethoxybenzamide
CID 70121071
2-amino-3-(3,3-dimethylbutoxy)phenol
CID 114764205
2-amino-3-(2-methylbutan-2-yloxy)benzamide
CID 115547085
2-amino-3-butoxybenzoic acid
CID 61039870
2-[3-(tert-butylamino)propoxy]benzamide
CID 103074303
2-amino-3-(1-methoxypropan-2-yloxy)benzamide
CID 115547300
2-amino-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzamide
CID 106597551
2-(3,3-dimethylbutoxy)-3-ethoxybenzoic acid
CID 61481125
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
2,3-bis(2-methoxyethoxy)benzamide
CID 175291641

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,3-dimethylbutoxy)benzamide?
The IUPAC name of 2-amino-3-(3,3-dimethylbutoxy)benzamide (CID 115547344) is 2-amino-3-(3,3-dimethylbutoxy)benzamide.
What is the SMILES notation for 2-amino-3-(3,3-dimethylbutoxy)benzamide?
The canonical SMILES for 2-amino-3-(3,3-dimethylbutoxy)benzamide is CC(C)(C)CCOc1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-(3,3-dimethylbutoxy)benzamide?
The InChIKey is GBZHLUMTSVGDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)7-8-17-10-6-4-5-9(11(10)14)12(15)16/h4-6H,7-8,14H2,1-3H3,(H2,15,16).
What are the key properties of 2-amino-3-(3,3-dimethylbutoxy)benzamide?
2-amino-3-(3,3-dimethylbutoxy)benzamide has a molecular weight of 236.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,3-dimethylbutoxy)benzamide is sourced from PubChem (CID 115547344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).