4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide

C20H25NO2 — CID 19190896

IUPAC4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCOc2cccc(C)c2C)c(C)c1
InChIInChI=1S/C20H25NO2/c1-14-10-11-18(16(3)13-14)21-20(22)9-6-12-23-19-8-5-7-15(2)17(19)4/h5,7-8,10-11,13H,6,9,12H2,1-4H3,(H,21,22)
InChIKeyIOPTYIVZXDHVAF-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.72
Rot. Bonds6

About 4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide

4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide (PubChem CID 19190896) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide.

Molecular Properties

Compound Name4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
PubChem CID19190896
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCOc2cccc(C)c2C)c(C)c1
InChIInChI=1S/C20H25NO2/c1-14-10-11-18(16(3)13-14)21-20(22)9-6-12-23-19-8-5-7-15(2)17(19)4/h5,7-8,10-11,13H,6,9,12H2,1-4H3,(H,21,22)
InChIKeyIOPTYIVZXDHVAF-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide
CID 19190988
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 19190902
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 19191042
2-(2,3-dimethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 720593
N-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide
CID 19173344
N-(2-chloro-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 18075657
4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212
methyl 4-(2,3-dimethylphenoxy)butanoate
CID 43378041
2-(2,3-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 17380454
2-[3-(2,3-dimethylphenoxy)propylamino]-5-methylbenzoic acid
CID 18802521

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide?
The IUPAC name of 4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide (CID 19190896) is 4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide.
What is the SMILES notation for 4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide?
The canonical SMILES for 4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide is Cc1ccc(NC(=O)CCCOc2cccc(C)c2C)c(C)c1.
What is the InChIKey of 4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide?
The InChIKey is IOPTYIVZXDHVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-10-11-18(16(3)13-14)21-20(22)9-6-12-23-19-8-5-7-15(2)17(19)4/h5,7-8,10-11,13H,6,9,12H2,1-4H3,(H,21,22).
What are the key properties of 4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide?
4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide has a molecular weight of 311.43 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide is sourced from PubChem (CID 19190896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).