4-(4-amino-3-methylphenoxy)-N-methylbutanamide

C12H18N2O2 — CID 63892855

IUPAC4-(4-amino-3-methylphenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(N)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-9-8-10(5-6-11(9)13)16-7-3-4-12(15)14-2/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyKANAQSUYJGVXNA-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.48
Rot. Bonds5

About 4-(4-amino-3-methylphenoxy)-N-methylbutanamide

4-(4-amino-3-methylphenoxy)-N-methylbutanamide (PubChem CID 63892855) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(4-amino-3-methylphenoxy)-N-methylbutanamide.

Molecular Properties

Compound Name4-(4-amino-3-methylphenoxy)-N-methylbutanamide
PubChem CID63892855
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-(4-amino-3-methylphenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(N)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-9-8-10(5-6-11(9)13)16-7-3-4-12(15)14-2/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyKANAQSUYJGVXNA-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.48
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

N-methyl-5-(4-methylphenoxy)pentanamide
CID 134582282
2-methyl-4-(4-methylpentoxy)aniline
CID 43436417
4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide
CID 142179795
4-[3-(aminomethyl)phenoxy]-N-methylbutanamide
CID 63892226
N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride
CID 119422856
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol
CID 61069192
2-methyl-4-nonoxyaniline
CID 43128997
4-(5-aminopentoxy)-2-methylaniline
CID 164576762
4-(4-carbamothioyl-3-chlorophenoxy)-N-methylbutanamide
CID 102724280
N-methyl-4-[4-(methylaminomethyl)phenoxy]butanamide
CID 63892447
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylphenoxy)-N-methylbutanamide?
The IUPAC name of 4-(4-amino-3-methylphenoxy)-N-methylbutanamide (CID 63892855) is 4-(4-amino-3-methylphenoxy)-N-methylbutanamide.
What is the SMILES notation for 4-(4-amino-3-methylphenoxy)-N-methylbutanamide?
The canonical SMILES for 4-(4-amino-3-methylphenoxy)-N-methylbutanamide is CNC(=O)CCCOc1ccc(N)c(C)c1.
What is the InChIKey of 4-(4-amino-3-methylphenoxy)-N-methylbutanamide?
The InChIKey is KANAQSUYJGVXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-8-10(5-6-11(9)13)16-7-3-4-12(15)14-2/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15).
What are the key properties of 4-(4-amino-3-methylphenoxy)-N-methylbutanamide?
4-(4-amino-3-methylphenoxy)-N-methylbutanamide has a molecular weight of 222.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylphenoxy)-N-methylbutanamide is sourced from PubChem (CID 63892855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).