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

C20H25NO4 — CID 43908307

IUPAC3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccccc1CNC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-4-25-17-8-6-5-7-16(17)14-21-20(22)12-10-15-9-11-18(23-2)19(13-15)24-3/h5-9,11,13H,4,10,12,14H2,1-3H3,(H,21,22)
InChIKeyZXFRVFVYEKZZAP-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.35
Rot. Bonds9

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

3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide (PubChem CID 43908307) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
PubChem CID43908307
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccccc1CNC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-4-25-17-8-6-5-7-16(17)14-21-20(22)12-10-15-9-11-18(23-2)19(13-15)24-3/h5-9,11,13H,4,10,12,14H2,1-3H3,(H,21,22)
InChIKeyZXFRVFVYEKZZAP-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 34322367
N-[(2-ethoxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 60565788
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide
CID 108743920
3-(3,4-dimethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 38019787
N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-5-yl)propanamide
CID 71840809
2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 75429383
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide (CID 43908307) is 3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide is CCOc1ccccc1CNC(=O)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide?
The InChIKey is ZXFRVFVYEKZZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-4-25-17-8-6-5-7-16(17)14-21-20(22)12-10-15-9-11-18(23-2)19(13-15)24-3/h5-9,11,13H,4,10,12,14H2,1-3H3,(H,21,22).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide has a molecular weight of 343.42 g/mol, XLogP of 3.35, 9 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-[(2-ethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 43908307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).