2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide

C18H21NO5 — CID 912738

IUPAC2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C18H21NO5/c1-21-14-8-6-5-7-12(14)11-19-18(20)13-9-16(23-3)17(24-4)10-15(13)22-2/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyBCSZGEZMMAFVFE-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.65
Rot. Bonds7

About 2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide

2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 912738) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID912738
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C18H21NO5/c1-21-14-8-6-5-7-12(14)11-19-18(20)13-9-16(23-3)17(24-4)10-15(13)22-2/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyBCSZGEZMMAFVFE-UHFFFAOYSA-N
XLogP2.65
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
4-methoxy-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzamide
CID 110761590
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811
[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
CID 3362065
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide
CID 9270256
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350
3-methoxy-N-[(2-methylphenyl)methyl]naphthalene-2-carboxamide
CID 9104702
2-methoxy-N-[(2-methoxyphenyl)methyl]-3,5-dimethylbenzamide
CID 110762822
2-hydroxy-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18116275
N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 18081414

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide (CID 912738) is 2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccccc1CNC(=O)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is BCSZGEZMMAFVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-21-14-8-6-5-7-12(14)11-19-18(20)13-9-16(23-3)17(24-4)10-15(13)22-2/h5-10H,11H2,1-4H3,(H,19,20).
What are the key properties of 2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide?
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 331.37 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 912738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).