N-(4-butylphenyl)-2,4,5-trimethoxybenzamide

C20H25NO4 — CID 9442098

IUPACN-(4-butylphenyl)-2,4,5-trimethoxybenzamide
SMILESCCCCc1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C20H25NO4/c1-5-6-7-14-8-10-15(11-9-14)21-20(22)16-12-18(24-3)19(25-4)13-17(16)23-2/h8-13H,5-7H2,1-4H3,(H,21,22)
InChIKeyHUARSRVECCDMFK-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.31
Rot. Bonds8

About N-(4-butylphenyl)-2,4,5-trimethoxybenzamide

N-(4-butylphenyl)-2,4,5-trimethoxybenzamide (PubChem CID 9442098) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(4-butylphenyl)-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2,4,5-trimethoxybenzamide
PubChem CID9442098
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-(4-butylphenyl)-2,4,5-trimethoxybenzamide
SMILESCCCCc1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C20H25NO4/c1-5-6-7-14-8-10-15(11-9-14)21-20(22)16-12-18(24-3)19(25-4)13-17(16)23-2/h8-13H,5-7H2,1-4H3,(H,21,22)
InChIKeyHUARSRVECCDMFK-UHFFFAOYSA-N
XLogP4.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721
N-(4-butylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 3515829
N-(4-butylphenyl)-2,3,4-trimethoxybenzamide
CID 9442096
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
N-(4-butylphenyl)-2,4-difluorobenzamide
CID 8961049
1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38202852
N-(4-butylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 24628497
N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295
2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 4793592
4-bromo-N-(4-butylphenyl)-2-fluorobenzamide
CID 43216193
2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 131949452
2-amino-N-(4-butylphenyl)-5-chlorobenzamide
CID 43378411

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2,4,5-trimethoxybenzamide?
The IUPAC name of N-(4-butylphenyl)-2,4,5-trimethoxybenzamide (CID 9442098) is N-(4-butylphenyl)-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(4-butylphenyl)-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-(4-butylphenyl)-2,4,5-trimethoxybenzamide is CCCCc1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1.
What is the InChIKey of N-(4-butylphenyl)-2,4,5-trimethoxybenzamide?
The InChIKey is HUARSRVECCDMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-5-6-7-14-8-10-15(11-9-14)21-20(22)16-12-18(24-3)19(25-4)13-17(16)23-2/h8-13H,5-7H2,1-4H3,(H,21,22).
What are the key properties of N-(4-butylphenyl)-2,4,5-trimethoxybenzamide?
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide has a molecular weight of 343.42 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 9442098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).