2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide

C20H25NO4 — CID 24533354

IUPAC2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
SMILESCOc1ccc(CC(=O)NCCCOc2cccc(C)c2)cc1OC
InChIInChI=1S/C20H25NO4/c1-15-6-4-7-17(12-15)25-11-5-10-21-20(22)14-16-8-9-18(23-2)19(13-16)24-3/h4,6-9,12-13H,5,10-11,14H2,1-3H3,(H,21,22)
InChIKeyLWWKSHOFLOBPRW-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.14
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide (PubChem CID 24533354) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
PubChem CID24533354
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
SMILESCOc1ccc(CC(=O)NCCCOc2cccc(C)c2)cc1OC
InChIInChI=1S/C20H25NO4/c1-15-6-4-7-17(12-15)25-11-5-10-21-20(22)14-16-8-9-18(23-2)19(13-16)24-3/h4,6-9,12-13H,5,10-11,14H2,1-3H3,(H,21,22)
InChIKeyLWWKSHOFLOBPRW-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

[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 29349192
2-(3,4-dimethoxyphenyl)-N-[2-(3-ethoxyphenoxy)ethyl]acetamide
CID 113100610
2-(2,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 46448861
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2-(3,4-dimethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 7808998
2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 17413856
2-(3-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62499528
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
2-cyano-N-[2-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 22687178
2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 27039874
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide (CID 24533354) is 2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide is COc1ccc(CC(=O)NCCCOc2cccc(C)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide?
The InChIKey is LWWKSHOFLOBPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-15-6-4-7-17(12-15)25-11-5-10-21-20(22)14-16-8-9-18(23-2)19(13-16)24-3/h4,6-9,12-13H,5,10-11,14H2,1-3H3,(H,21,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide 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 2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide is sourced from PubChem (CID 24533354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).