3-amino-4-(4-butan-2-ylphenoxy)benzamide

C17H20N2O2 — CID 107663745

IUPAC3-amino-4-(4-butan-2-ylphenoxy)benzamide
SMILESCCC(C)c1ccc(Oc2ccc(C(N)=O)cc2N)cc1
InChIInChI=1S/C17H20N2O2/c1-3-11(2)12-4-7-14(8-5-12)21-16-9-6-13(17(19)20)10-15(16)18/h4-11H,3,18H2,1-2H3,(H2,19,20)
InChIKeyVNPCEROMMULROI-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.67
Rot. Bonds5

About 3-amino-4-(4-butan-2-ylphenoxy)benzamide

3-amino-4-(4-butan-2-ylphenoxy)benzamide (PubChem CID 107663745) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-4-(4-butan-2-ylphenoxy)benzamide.

Molecular Properties

Compound Name3-amino-4-(4-butan-2-ylphenoxy)benzamide
PubChem CID107663745
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-4-(4-butan-2-ylphenoxy)benzamide
SMILESCCC(C)c1ccc(Oc2ccc(C(N)=O)cc2N)cc1
InChIInChI=1S/C17H20N2O2/c1-3-11(2)12-4-7-14(8-5-12)21-16-9-6-13(17(19)20)10-15(16)18/h4-11H,3,18H2,1-2H3,(H2,19,20)
InChIKeyVNPCEROMMULROI-UHFFFAOYSA-N
XLogP3.67
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.67
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-4-(4-ethoxyphenoxy)benzamide
CID 43448507
2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline
CID 26189675
bis[3-amino-4-(4-propan-2-ylphenoxy)phenyl]methanone
CID 139784246
4-(4-butan-2-ylphenoxy)-3-fluorobenzenecarbothioamide
CID 107664887
2-amino-5-(4-butan-2-ylphenoxy)benzoic acid
CID 107667442
3-amino-4-butoxybenzamide
CID 43448596
2-[1-[4-(4-aminophenoxy)phenyl]propyl]benzene-1,4-dicarboxamide
CID 139700946
3-amino-4-(4-carboxyphenoxy)benzoic acid
CID 54426236
4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide
CID 62911692
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
2-amino-1-(4-butan-2-ylphenyl)propan-1-one
CID 82048669
(1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol
CID 107665857

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-butan-2-ylphenoxy)benzamide?
The IUPAC name of 3-amino-4-(4-butan-2-ylphenoxy)benzamide (CID 107663745) is 3-amino-4-(4-butan-2-ylphenoxy)benzamide.
What is the SMILES notation for 3-amino-4-(4-butan-2-ylphenoxy)benzamide?
The canonical SMILES for 3-amino-4-(4-butan-2-ylphenoxy)benzamide is CCC(C)c1ccc(Oc2ccc(C(N)=O)cc2N)cc1.
What is the InChIKey of 3-amino-4-(4-butan-2-ylphenoxy)benzamide?
The InChIKey is VNPCEROMMULROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-11(2)12-4-7-14(8-5-12)21-16-9-6-13(17(19)20)10-15(16)18/h4-11H,3,18H2,1-2H3,(H2,19,20).
What are the key properties of 3-amino-4-(4-butan-2-ylphenoxy)benzamide?
3-amino-4-(4-butan-2-ylphenoxy)benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-butan-2-ylphenoxy)benzamide is sourced from PubChem (CID 107663745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).