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

C20H25NO2 — CID 19173293

IUPACN-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide
SMILESCCc1cccc(C)c1NC(=O)CCCOc1ccccc1C
InChIInChI=1S/C20H25NO2/c1-4-17-11-7-10-16(3)20(17)21-19(22)13-8-14-23-18-12-6-5-9-15(18)2/h5-7,9-12H,4,8,13-14H2,1-3H3,(H,21,22)
InChIKeyOLJFARDPDZLFFM-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.66
Rot. Bonds7

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

N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide (PubChem CID 19173293) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide
PubChem CID19173293
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide
SMILESCCc1cccc(C)c1NC(=O)CCCOc1ccccc1C
InChIInChI=1S/C20H25NO2/c1-4-17-11-7-10-16(3)20(17)21-19(22)13-8-14-23-18-12-6-5-9-15(18)2/h5-7,9-12H,4,8,13-14H2,1-3H3,(H,21,22)
InChIKeyOLJFARDPDZLFFM-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.66
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-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
CID 7783546
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893
5-(2-ethyl-6-methylanilino)-5-oxopentanoate
CID 4740094
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883771
N-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54826773
N-(2-ethyl-6-methylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 717648
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767828
3-(3,5-dimethylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 17034730
N-(2,6-dimethylphenyl)-2-(2-ethylphenoxy)acetamide
CID 19175719
N'-(2-ethyl-6-methylphenyl)butanediamide
CID 82041304

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide (CID 19173293) is N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide is CCc1cccc(C)c1NC(=O)CCCOc1ccccc1C.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide?
The InChIKey is OLJFARDPDZLFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-17-11-7-10-16(3)20(17)21-19(22)13-8-14-23-18-12-6-5-9-15(18)2/h5-7,9-12H,4,8,13-14H2,1-3H3,(H,21,22).
What are the key properties of N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide?
N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide has a molecular weight of 311.43 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 19173293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).