2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide

C20H25NO2 — CID 38002281

IUPAC2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCOc1cccc(CCCNC(=O)Cc2cc(C)ccc2C)c1
InChIInChI=1S/C20H25NO2/c1-15-9-10-16(2)18(12-15)14-20(22)21-11-5-7-17-6-4-8-19(13-17)23-3/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3,(H,21,22)
InChIKeyXSENPBHNZBTIOY-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.60
Rot. Bonds7

About 2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide

2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide (PubChem CID 38002281) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
PubChem CID38002281
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCOc1cccc(CCCNC(=O)Cc2cc(C)ccc2C)c1
InChIInChI=1S/C20H25NO2/c1-15-9-10-16(2)18(12-15)14-20(22)21-11-5-7-17-6-4-8-19(13-17)23-3/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3,(H,21,22)
InChIKeyXSENPBHNZBTIOY-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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-(3-methoxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 95172598
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596
2-(2,5-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977879
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30218429
N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide
CID 114504420
2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 53283832
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30211848
3-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172563
N-(4-methoxybutyl)-3-(3-methoxyphenyl)propanamide
CID 110418006
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,4-dimethylphenyl)acetamide
CID 100514824
N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 30397462

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide (CID 38002281) is 2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide is COc1cccc(CCCNC(=O)Cc2cc(C)ccc2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The InChIKey is XSENPBHNZBTIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15-9-10-16(2)18(12-15)14-20(22)21-11-5-7-17-6-4-8-19(13-17)23-3/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3,(H,21,22).
What are the key properties of 2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide?
2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide has a molecular weight of 311.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 38002281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).