3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide

C20H25NO4 — CID 13387117

IUPAC3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(OCCOc2cc(C)ccc2C)c1
InChIInChI=1S/C20H25NO4/c1-15-7-8-16(2)19(13-15)25-12-11-24-18-6-4-5-17(14-18)20(22)21-9-10-23-3/h4-8,13-14H,9-12H2,1-3H3,(H,21,22)
InChIKeyRPHNBIPNZPWKMF-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.14
Rot. Bonds9

About 3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide

3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide (PubChem CID 13387117) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide
PubChem CID13387117
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(OCCOc2cc(C)ccc2C)c1
InChIInChI=1S/C20H25NO4/c1-15-7-8-16(2)19(13-15)25-12-11-24-18-6-4-5-17(14-18)20(22)21-9-10-23-3/h4-8,13-14H,9-12H2,1-3H3,(H,21,22)
InChIKeyRPHNBIPNZPWKMF-UHFFFAOYSA-N
XLogP3.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218964
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide
CID 13387095
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119177030
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
3-[2-(2,5-dimethylphenoxy)ethoxy]benzenecarbothioamide
CID 20992152
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113100732
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
2-cyano-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20984627

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide (CID 13387117) is 3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(OCCOc2cc(C)ccc2C)c1.
What is the InChIKey of 3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide?
The InChIKey is RPHNBIPNZPWKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-15-7-8-16(2)19(13-15)25-12-11-24-18-6-4-5-17(14-18)20(22)21-9-10-23-3/h4-8,13-14H,9-12H2,1-3H3,(H,21,22).
What are the key properties of 3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide?
3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide has a molecular weight of 343.42 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 13387117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).