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

C21H27NO6 — CID 9483500

IUPAC3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CCC(=O)NCc2cc(OC)c(OC)c(OC)c2)c1OC
InChIInChI=1S/C21H27NO6/c1-24-16-8-6-7-15(20(16)27-4)9-10-19(23)22-13-14-11-17(25-2)21(28-5)18(12-14)26-3/h6-8,11-12H,9-10,13H2,1-5H3,(H,22,23)
InChIKeyPTGQIJRYIJYBKG-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.98
Rot. Bonds10

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

3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (PubChem CID 9483500) has the molecular formula C21H27NO6 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
PubChem CID9483500
Molecular FormulaC21H27NO6
Molecular Weight389.45 g/mol
Exact Mass389.18
IUPAC Name3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CCC(=O)NCc2cc(OC)c(OC)c(OC)c2)c1OC
InChIInChI=1S/C21H27NO6/c1-24-16-8-6-7-15(20(16)27-4)9-10-19(23)22-13-14-11-17(25-2)21(28-5)18(12-14)26-3/h6-8,11-12H,9-10,13H2,1-5H3,(H,22,23)
InChIKeyPTGQIJRYIJYBKG-UHFFFAOYSA-N
XLogP2.98
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,3-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 22108283
3-(4-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 16574584
3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118791
N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870487
3-(2,3-dimethoxyphenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9481076
N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide
CID 18118508
N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2679607
3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100642767
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
CID 9428782
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55423168
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (CID 9483500) is 3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is COc1cccc(CCC(=O)NCc2cc(OC)c(OC)c(OC)c2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The InChIKey is PTGQIJRYIJYBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO6/c1-24-16-8-6-7-15(20(16)27-4)9-10-19(23)22-13-14-11-17(25-2)21(28-5)18(12-14)26-3/h6-8,11-12H,9-10,13H2,1-5H3,(H,22,23).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide has a molecular weight of 389.45 g/mol, XLogP of 2.98, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 9483500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).