N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide

C20H25NO3 — CID 7991934

IUPACN-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
SMILESCCOc1ccc(OCCCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25NO3/c1-4-23-17-9-11-18(12-10-17)24-13-5-6-20(22)21-19-14-15(2)7-8-16(19)3/h7-12,14H,4-6,13H2,1-3H3,(H,21,22)
InChIKeyZFNJUNDSKMKBBA-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.50
Rot. Bonds8

About N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide

N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide (PubChem CID 7991934) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
PubChem CID7991934
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
SMILESCCOc1ccc(OCCCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25NO3/c1-4-23-17-9-11-18(12-10-17)24-13-5-6-20(22)21-19-14-15(2)7-8-16(19)3/h7-12,14H,4-6,13H2,1-3H3,(H,21,22)
InChIKeyZFNJUNDSKMKBBA-UHFFFAOYSA-N
XLogP4.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732
N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31847881
4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide
CID 9314100
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
CID 7695554
4-[4-[(2,5-dimethylphenyl)carbamoyl]phenoxy]butanoic acid
CID 22687067
2-(N-acetyl-4-ethoxyanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113173935
N-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035105
3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 2071769
N'-[(3-butoxyphenyl)methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3365224
N-(2,5-dimethylphenyl)-4-pentoxybenzamide
CID 4935012
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide (CID 7991934) is N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide is CCOc1ccc(OCCCC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide?
The InChIKey is ZFNJUNDSKMKBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-23-17-9-11-18(12-10-17)24-13-5-6-20(22)21-19-14-15(2)7-8-16(19)3/h7-12,14H,4-6,13H2,1-3H3,(H,21,22).
What are the key properties of N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide?
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide has a molecular weight of 327.42 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide is sourced from PubChem (CID 7991934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).