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

C19H23NO4 — CID 3506236

IUPAC3-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H23NO4/c1-22-16-6-4-5-15(11-16)13-20-19(21)10-8-14-7-9-17(23-2)18(12-14)24-3/h4-7,9,11-12H,8,10,13H2,1-3H3,(H,20,21)
InChIKeyHHMJSJMFFFTRKG-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.96
Rot. Bonds8

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

3-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 3506236) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID3506236
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H23NO4/c1-22-16-6-4-5-15(11-16)13-20-19(21)10-8-14-7-9-17(23-2)18(12-14)24-3/h4-7,9,11-12H,8,10,13H2,1-3H3,(H,20,21)
InChIKeyHHMJSJMFFFTRKG-UHFFFAOYSA-N
XLogP2.96
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]propanamide (CID 3506236) is 3-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)CCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is HHMJSJMFFFTRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-22-16-6-4-5-15(11-16)13-20-19(21)10-8-14-7-9-17(23-2)18(12-14)24-3/h4-7,9,11-12H,8,10,13H2,1-3H3,(H,20,21).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 3506236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).