2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide

C18H20N2O5 — CID 4793592

IUPAC2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C18H20N2O5/c1-19-17(21)11-5-7-12(8-6-11)20-18(22)13-9-15(24-3)16(25-4)10-14(13)23-2/h5-10H,1-4H3,(H,19,21)(H,20,22)
InChIKeyFJUGKUPJIHMKOG-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.32
Rot. Bonds6

About 2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide

2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide (PubChem CID 4793592) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
PubChem CID4793592
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C18H20N2O5/c1-19-17(21)11-5-7-12(8-6-11)20-18(22)13-9-15(24-3)16(25-4)10-14(13)23-2/h5-10H,1-4H3,(H,19,21)(H,20,22)
InChIKeyFJUGKUPJIHMKOG-UHFFFAOYSA-N
XLogP2.32
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,5-trimethoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 131950606
2,4,5-trimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17403518
2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
CID 9158588
N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide
CID 119625597
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
N-(3-benzamidophenyl)-2,4,5-trimethoxybenzamide
CID 55797225
N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 2200296
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide (CID 4793592) is 2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1.
What is the InChIKey of 2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is FJUGKUPJIHMKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-19-17(21)11-5-7-12(8-6-11)20-18(22)13-9-15(24-3)16(25-4)10-14(13)23-2/h5-10H,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide?
2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 344.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 4793592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).