3-amino-2-(3-tert-butylphenoxy)benzamide

C17H20N2O2 — CID 115935728

IUPAC3-amino-2-(3-tert-butylphenoxy)benzamide
SMILESCC(C)(C)c1cccc(Oc2c(N)cccc2C(N)=O)c1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)11-6-4-7-12(10-11)21-15-13(16(19)20)8-5-9-14(15)18/h4-10H,18H2,1-3H3,(H2,19,20)
InChIKeyAJIFZBUCMOHPAU-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.46
Rot. Bonds3

About 3-amino-2-(3-tert-butylphenoxy)benzamide

3-amino-2-(3-tert-butylphenoxy)benzamide (PubChem CID 115935728) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-2-(3-tert-butylphenoxy)benzamide.

Molecular Properties

Compound Name3-amino-2-(3-tert-butylphenoxy)benzamide
PubChem CID115935728
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-2-(3-tert-butylphenoxy)benzamide
SMILESCC(C)(C)c1cccc(Oc2c(N)cccc2C(N)=O)c1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)11-6-4-7-12(10-11)21-15-13(16(19)20)8-5-9-14(15)18/h4-10H,18H2,1-3H3,(H2,19,20)
InChIKeyAJIFZBUCMOHPAU-UHFFFAOYSA-N
XLogP3.46
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.46
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

3-amino-2-(4-ethylphenoxy)benzamide
CID 112579580
3-amino-2-(3-methylphenoxy)benzoic acid
CID 112579601
3-amino-2-(4-cyano-3-fluorophenoxy)benzamide
CID 115935849
ethyl 3-amino-2-(3-methylphenoxy)benzoate
CID 115935608
methyl 3-amino-2-(3-ethylphenoxy)benzoate
CID 115935681
6-(3-tert-butylphenoxy)pyridine-2,3-diamine
CID 79827061
3-amino-2-naphthalen-1-yloxybenzamide
CID 115935620
3-[4-(3-amino-2-phenoxybenzoyl)phenoxy]benzoic acid
CID 19862065
3-amino-2-(4-bromo-2,5-dichlorophenoxy)benzamide
CID 107659948
bis(2-amino-6-carbamoylphenyl) 2,3-dihydroxybutanedioate
CID 174596966
3-amino-2-(2-bromo-5-fluorophenoxy)benzamide
CID 112579924
3-amino-2-(4-bromo-2-chlorophenoxy)benzamide
CID 112579736

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-tert-butylphenoxy)benzamide?
The IUPAC name of 3-amino-2-(3-tert-butylphenoxy)benzamide (CID 115935728) is 3-amino-2-(3-tert-butylphenoxy)benzamide.
What is the SMILES notation for 3-amino-2-(3-tert-butylphenoxy)benzamide?
The canonical SMILES for 3-amino-2-(3-tert-butylphenoxy)benzamide is CC(C)(C)c1cccc(Oc2c(N)cccc2C(N)=O)c1.
What is the InChIKey of 3-amino-2-(3-tert-butylphenoxy)benzamide?
The InChIKey is AJIFZBUCMOHPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2,3)11-6-4-7-12(10-11)21-15-13(16(19)20)8-5-9-14(15)18/h4-10H,18H2,1-3H3,(H2,19,20).
What are the key properties of 3-amino-2-(3-tert-butylphenoxy)benzamide?
3-amino-2-(3-tert-butylphenoxy)benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-tert-butylphenoxy)benzamide is sourced from PubChem (CID 115935728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).