2-(2-amino-3-methylphenoxy)-N-benzylacetamide

C16H18N2O2 — CID 43437998

IUPAC2-(2-amino-3-methylphenoxy)-N-benzylacetamide
SMILESCc1cccc(OCC(=O)NCc2ccccc2)c1N
InChIInChI=1S/C16H18N2O2/c1-12-6-5-9-14(16(12)17)20-11-15(19)18-10-13-7-3-2-4-8-13/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyKXFWJPKIPBOMKD-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.27
Rot. Bonds5

About 2-(2-amino-3-methylphenoxy)-N-benzylacetamide

2-(2-amino-3-methylphenoxy)-N-benzylacetamide (PubChem CID 43437998) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenoxy)-N-benzylacetamide.

Molecular Properties

Compound Name2-(2-amino-3-methylphenoxy)-N-benzylacetamide
PubChem CID43437998
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(2-amino-3-methylphenoxy)-N-benzylacetamide
SMILESCc1cccc(OCC(=O)NCc2ccccc2)c1N
InChIInChI=1S/C16H18N2O2/c1-12-6-5-9-14(16(12)17)20-11-15(19)18-10-13-7-3-2-4-8-13/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyKXFWJPKIPBOMKD-UHFFFAOYSA-N
XLogP2.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.27
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-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 43438102
2-(2-amino-3-methylphenoxy)-N-butylacetamide
CID 54956172
2-(2-amino-3-methylphenoxy)acetic acid
CID 61261601
N-benzyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975403
[2-(benzylamino)-2-oxoethyl] 2,6-dimethylbenzoate
CID 171350713
N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 39575947
N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78933839
N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide
CID 60792895
2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711623
2-[2-(aminomethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 16795293
2-(2-amino-4-bromophenoxy)-N-benzylacetamide
CID 65429040
2-(5-amino-2-bromophenoxy)-N-benzylacetamide
CID 103009111

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenoxy)-N-benzylacetamide?
The IUPAC name of 2-(2-amino-3-methylphenoxy)-N-benzylacetamide (CID 43437998) is 2-(2-amino-3-methylphenoxy)-N-benzylacetamide.
What is the SMILES notation for 2-(2-amino-3-methylphenoxy)-N-benzylacetamide?
The canonical SMILES for 2-(2-amino-3-methylphenoxy)-N-benzylacetamide is Cc1cccc(OCC(=O)NCc2ccccc2)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenoxy)-N-benzylacetamide?
The InChIKey is KXFWJPKIPBOMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-6-5-9-14(16(12)17)20-11-15(19)18-10-13-7-3-2-4-8-13/h2-9H,10-11,17H2,1H3,(H,18,19).
What are the key properties of 2-(2-amino-3-methylphenoxy)-N-benzylacetamide?
2-(2-amino-3-methylphenoxy)-N-benzylacetamide has a molecular weight of 270.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylphenoxy)-N-benzylacetamide is sourced from PubChem (CID 43437998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).