3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide

C17H20N2O2 — CID 43376404

IUPAC3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide
SMILESCC(C)c1ccc(OCc2ccc(C(N)=O)cc2N)cc1
InChIInChI=1S/C17H20N2O2/c1-11(2)12-5-7-15(8-6-12)21-10-14-4-3-13(17(19)20)9-16(14)18/h3-9,11H,10,18H2,1-2H3,(H2,19,20)
InChIKeySFHBYQNTONAHOG-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.07
Rot. Bonds5

About 3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide

3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide (PubChem CID 43376404) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide
PubChem CID43376404
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide
SMILESCC(C)c1ccc(OCc2ccc(C(N)=O)cc2N)cc1
InChIInChI=1S/C17H20N2O2/c1-11(2)12-5-7-15(8-6-12)21-10-14-4-3-13(17(19)20)9-16(14)18/h3-9,11H,10,18H2,1-2H3,(H2,19,20)
InChIKeySFHBYQNTONAHOG-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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-chloro-3-ethylphenoxy)methyl]benzamide
CID 43376930
3-amino-4-[[4-(2-hydroxyethyl)phenoxy]methyl]benzamide
CID 107708557
3-amino-4-[(3-fluorophenoxy)methyl]benzamide
CID 43376530
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 43376384
3-amino-4-ethylbenzamide
CID 19977641
3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 43376923
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
CID 43376807
4-fluoro-3-[(4-propan-2-ylphenoxy)methyl]benzoic acid
CID 63530478
3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
CID 102670675
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide?
The IUPAC name of 3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide (CID 43376404) is 3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide.
What is the SMILES notation for 3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide?
The canonical SMILES for 3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide is CC(C)c1ccc(OCc2ccc(C(N)=O)cc2N)cc1.
What is the InChIKey of 3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide?
The InChIKey is SFHBYQNTONAHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11(2)12-5-7-15(8-6-12)21-10-14-4-3-13(17(19)20)9-16(14)18/h3-9,11H,10,18H2,1-2H3,(H2,19,20).
What are the key properties of 3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide?
3-amino-4-[(4-propan-2-ylphenoxy)methyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.07, 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-propan-2-ylphenoxy)methyl]benzamide is sourced from PubChem (CID 43376404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).