3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide

C20H25NO5 — CID 33109851

IUPAC3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(OC)c(CNC(=O)CCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H25NO5/c1-23-16-7-9-17(24-2)15(12-16)13-21-20(22)10-6-14-5-8-18(25-3)19(11-14)26-4/h5,7-9,11-12H,6,10,13H2,1-4H3,(H,21,22)
InChIKeyCXYAOTDXWIKPJG-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.97
Rot. Bonds9

About 3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide (PubChem CID 33109851) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
PubChem CID33109851
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(OC)c(CNC(=O)CCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H25NO5/c1-23-16-7-9-17(24-2)15(12-16)13-21-20(22)10-6-14-5-8-18(25-3)19(11-14)26-4/h5,7-9,11-12H,6,10,13H2,1-4H3,(H,21,22)
InChIKeyCXYAOTDXWIKPJG-UHFFFAOYSA-N
XLogP2.97
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
CID 61252269
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 46568198
3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43908307
2-(2,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9427593
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 18121489
3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 34322367
3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028189
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 2640900

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide (CID 33109851) is 3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide is COc1ccc(OC)c(CNC(=O)CCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide?
The InChIKey is CXYAOTDXWIKPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-23-16-7-9-17(24-2)15(12-16)13-21-20(22)10-6-14-5-8-18(25-3)19(11-14)26-4/h5,7-9,11-12H,6,10,13H2,1-4H3,(H,21,22).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide has a molecular weight of 359.42 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 33109851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).