4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide

C14H22N2O2 — CID 55037346

IUPAC4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide
SMILESCc1cc(C)c(OCCCC(=O)N(C)C)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-10-8-11(2)14(12(15)9-10)18-7-5-6-13(17)16(3)4/h8-9H,5-7,15H2,1-4H3
InChIKeyZGOCZFOLDVNKGA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.13
Rot. Bonds5

About 4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide

4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide (PubChem CID 55037346) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide
PubChem CID55037346
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide
SMILESCc1cc(C)c(OCCCC(=O)N(C)C)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-10-8-11(2)14(12(15)9-10)18-7-5-6-13(17)16(3)4/h8-9H,5-7,15H2,1-4H3
InChIKeyZGOCZFOLDVNKGA-UHFFFAOYSA-N
XLogP2.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
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-[4-(dimethylamino)-4-oxobutoxy]-3,5-dimethylbenzenesulfonyl chloride
CID 82911960
2-(3-fluoropropoxy)-3,5-dimethylaniline
CID 81105678
3,5-dimethyl-2-(3-methylsulfonylpropoxy)aniline
CID 63191136
4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide
CID 115962707
4-(2,6-difluoro-4-formylphenoxy)-N,N-dimethylbutanamide
CID 79891319
2-(2-amino-4,6-dimethylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 62057785
3-(2-amino-6-bromo-4-chlorophenoxy)-N,N-dimethylpropanamide
CID 54879248
3,5-dimethyl-2-(2-phenoxyethoxy)aniline
CID 54853263
2-(2-amino-4,6-dimethylphenoxy)-N-ethylacetamide
CID 62057922
2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 62098346
N'-methyl-4-(2,4,6-trimethylphenoxy)butanehydrazide
CID 116820749
methyl 3-(2-amino-4-bromo-6-methylphenoxy)propanoate
CID 79844736

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide?
The IUPAC name of 4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide (CID 55037346) is 4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide is Cc1cc(C)c(OCCCC(=O)N(C)C)c(N)c1.
What is the InChIKey of 4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide?
The InChIKey is ZGOCZFOLDVNKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-8-11(2)14(12(15)9-10)18-7-5-6-13(17)16(3)4/h8-9H,5-7,15H2,1-4H3.
What are the key properties of 4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide?
4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4,6-dimethylphenoxy)-N,N-dimethylbutanamide is sourced from PubChem (CID 55037346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).