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

C13H20N2O2 — CID 54956172

IUPAC2-(2-amino-3-methylphenoxy)-N-butylacetamide
SMILESCCCCNC(=O)COc1cccc(C)c1N
InChIInChI=1S/C13H20N2O2/c1-3-4-8-15-12(16)9-17-11-7-5-6-10(2)13(11)14/h5-7H,3-4,8-9,14H2,1-2H3,(H,15,16)
InChIKeyJETADGXOTOAHHZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.87
Rot. Bonds6

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

2-(2-amino-3-methylphenoxy)-N-butylacetamide (PubChem CID 54956172) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenoxy)-N-butylacetamide.

Molecular Properties

Compound Name2-(2-amino-3-methylphenoxy)-N-butylacetamide
PubChem CID54956172
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(2-amino-3-methylphenoxy)-N-butylacetamide
SMILESCCCCNC(=O)COc1cccc(C)c1N
InChIInChI=1S/C13H20N2O2/c1-3-4-8-15-12(16)9-17-11-7-5-6-10(2)13(11)14/h5-7H,3-4,8-9,14H2,1-2H3,(H,15,16)
InChIKeyJETADGXOTOAHHZ-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 43438102
2-(5-amino-2-methylphenoxy)-N-butylacetamide
CID 54956173
2-(2-amino-3-methylphenoxy)-N-benzylacetamide
CID 43437998
2-(2-bromophenoxy)-N-butylacetamide
CID 55029150
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-(2-amino-3-methylphenoxy)acetic acid
CID 61261601
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
CID 3463804
2-(2-amino-5-chlorophenoxy)-N-butylacetamide
CID 62305003
[2-(butylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578092

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenoxy)-N-butylacetamide?
The IUPAC name of 2-(2-amino-3-methylphenoxy)-N-butylacetamide (CID 54956172) is 2-(2-amino-3-methylphenoxy)-N-butylacetamide.
What is the SMILES notation for 2-(2-amino-3-methylphenoxy)-N-butylacetamide?
The canonical SMILES for 2-(2-amino-3-methylphenoxy)-N-butylacetamide is CCCCNC(=O)COc1cccc(C)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenoxy)-N-butylacetamide?
The InChIKey is JETADGXOTOAHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-4-8-15-12(16)9-17-11-7-5-6-10(2)13(11)14/h5-7H,3-4,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-amino-3-methylphenoxy)-N-butylacetamide?
2-(2-amino-3-methylphenoxy)-N-butylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.87, 6 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-butylacetamide is sourced from PubChem (CID 54956172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).