2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide

C17H20N2O2 — CID 107655851

IUPAC2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cc(CN)ccc2C)cc1
InChIInChI=1S/C17H20N2O2/c1-12-3-7-15(8-4-12)19-17(20)11-21-16-9-14(10-18)6-5-13(16)2/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyDLVWNZBXICULKY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.78
Rot. Bonds5

About 2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide

2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 107655851) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide
PubChem CID107655851
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2cc(CN)ccc2C)cc1
InChIInChI=1S/C17H20N2O2/c1-12-3-7-15(8-4-12)19-17(20)11-21-16-9-14(10-18)6-5-13(16)2/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyDLVWNZBXICULKY-UHFFFAOYSA-N
XLogP2.78
TPSA64.35 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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35364916
N-(4-butylphenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 19167555
2-amino-N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 39192494
2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 107655696
2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071565
2-[2-ethoxy-4-(methylaminomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 19589313
2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167161
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide
CID 107686288
4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235006
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide (CID 107655851) is 2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2cc(CN)ccc2C)cc1.
What is the InChIKey of 2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is DLVWNZBXICULKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-3-7-15(8-4-12)19-17(20)11-21-16-9-14(10-18)6-5-13(16)2/h3-9H,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide?
2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 107655851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).