N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide

C20H25NO3 — CID 7783546

IUPACN-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
SMILESCCc1cccc(C)c1NC(=O)CCCOc1ccc(OC)cc1
InChIInChI=1S/C20H25NO3/c1-4-16-8-5-7-15(2)20(16)21-19(22)9-6-14-24-18-12-10-17(23-3)11-13-18/h5,7-8,10-13H,4,6,9,14H2,1-3H3,(H,21,22)
InChIKeyRSMUVZFMNKSKJT-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.36
Rot. Bonds8

About N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide

N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide (PubChem CID 7783546) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
PubChem CID7783546
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
SMILESCCc1cccc(C)c1NC(=O)CCCOc1ccc(OC)cc1
InChIInChI=1S/C20H25NO3/c1-4-16-8-5-7-15(2)20(16)21-19(22)9-6-14-24-18-12-10-17(23-3)11-13-18/h5,7-8,10-13H,4,6,9,14H2,1-3H3,(H,21,22)
InChIKeyRSMUVZFMNKSKJT-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
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

N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 19173293
N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 19174107
4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 7790413
3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 17034730
3-(3,5-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 26687947
N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893
N-(2,6-dimethylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795911
5-(2-ethyl-6-methylanilino)-5-oxopentanoate
CID 4740094
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide
CID 26905201
N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110243
2-(2,5-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7992499
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide
CID 113122386

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide (CID 7783546) is N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide is CCc1cccc(C)c1NC(=O)CCCOc1ccc(OC)cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide?
The InChIKey is RSMUVZFMNKSKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-16-8-5-7-15(2)20(16)21-19(22)9-6-14-24-18-12-10-17(23-3)11-13-18/h5,7-8,10-13H,4,6,9,14H2,1-3H3,(H,21,22).
What are the key properties of N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide?
N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide has a molecular weight of 327.42 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 7783546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).