2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide

C13H20N2O2 — CID 43438102

IUPAC2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide
SMILESCc1cccc(OCC(=O)NCC(C)C)c1N
InChIInChI=1S/C13H20N2O2/c1-9(2)7-15-12(16)8-17-11-6-4-5-10(3)13(11)14/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyUPFIPFPJDFIZCR-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.73
Rot. Bonds5

About 2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide

2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide (PubChem CID 43438102) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide
PubChem CID43438102
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide
SMILESCc1cccc(OCC(=O)NCC(C)C)c1N
InChIInChI=1S/C13H20N2O2/c1-9(2)7-15-12(16)8-17-11-6-4-5-10(3)13(11)14/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyUPFIPFPJDFIZCR-UHFFFAOYSA-N
XLogP1.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.73
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-benzylacetamide
CID 43437998
2-(2-amino-3-methylphenoxy)-N-butylacetamide
CID 54956172
2-(2-hydroxyphenoxy)-N-(2-methylpropyl)acetamide
CID 43087121
2-(2-amino-3-methylphenoxy)acetic acid
CID 61261601
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241
2-(2-benzylphenoxy)-N-(2-methylpropyl)acetamide
CID 112779271
2-(2-aminophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 107150626
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylpropyl)acetamide
CID 49167933
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 43332989
2-(2-amino-3-methylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 43438063
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-(2-methylpropyl)acetamide
CID 63091712
2-[2-[(1R)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 78930255

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide (CID 43438102) is 2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide is Cc1cccc(OCC(=O)NCC(C)C)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide?
The InChIKey is UPFIPFPJDFIZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)7-15-12(16)8-17-11-6-4-5-10(3)13(11)14/h4-6,9H,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide?
2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.73, 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 43438102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).