3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide

C20H25NO6 — CID 113096442

IUPAC3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(CCNC(=O)c2ccc(OC)c(OC)c2)c(OC)c(OC)c1
InChIInChI=1S/C20H25NO6/c1-23-15-10-13(19(27-5)18(12-15)26-4)8-9-21-20(22)14-6-7-16(24-2)17(11-14)25-3/h6-7,10-12H,8-9H2,1-5H3,(H,21,22)
InChIKeyBCLLYEPVTWCNMN-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.70
Rot. Bonds9

About 3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide

3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide (PubChem CID 113096442) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide
PubChem CID113096442
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Name3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(CCNC(=O)c2ccc(OC)c(OC)c2)c(OC)c(OC)c1
InChIInChI=1S/C20H25NO6/c1-23-15-10-13(19(27-5)18(12-15)26-4)8-9-21-20(22)14-6-7-16(24-2)17(11-14)25-3/h6-7,10-12H,8-9H2,1-5H3,(H,21,22)
InChIKeyBCLLYEPVTWCNMN-UHFFFAOYSA-N
XLogP2.70
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide
CID 113096429
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
CID 110720006
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110605237
3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide
CID 108935164
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 110787720
3,4-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-5-prop-2-enylbenzamide
CID 31850269

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide (CID 113096442) is 3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide is COc1cc(CCNC(=O)c2ccc(OC)c(OC)c2)c(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide?
The InChIKey is BCLLYEPVTWCNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6/c1-23-15-10-13(19(27-5)18(12-15)26-4)8-9-21-20(22)14-6-7-16(24-2)17(11-14)25-3/h6-7,10-12H,8-9H2,1-5H3,(H,21,22).
What are the key properties of 3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide?
3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide has a molecular weight of 375.42 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 113096442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).